1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene

C141H176Cl2F5N21O4 — CID 159867194

IUPAC1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene
SMILESCOc1cccc(C)n1.COc1ccccc1C.COc1cccnc1C.Cc1ccc(C)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OC(C)C)nc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1C.Cc1cnc(C)cn1.Cc1cnccn1.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1ncccc1F
InChIInChI=1S/C11H17N3.C11H16N2.C10H15N3.C9H13NO.C8H10O.C7H7Cl.C7H6F3N.C7H7F.2C7H9NO.2C7H9N.2C7H8.C6H6ClN.C6H6FN.C6H8N2.C6H7N.C5H6N2/c1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-7(2)11-9-5-4-8(3)6-10-9;1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-5-6(7(8,9)10)3-2-4-11-5;1-6-4-2-3-5-7(6)8;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-7(8-6)9-2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;2*1-7-5-3-2-4-6-7;2*1-5-6(7)3-2-4-8-5;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5/h3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;2-3,8,11H,4-7H2,1H3;4-7H,1-3H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2*3-5H,1-2H3;2*3-5H,1-2H3;2*2-6H,1H3;2*2-4H,1H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyNRWNQOMWZDXURV-UHFFFAOYSA-N
MW2395.00 g/mol
LogP32.72
Rot. Bonds8

About 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene

1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene (PubChem CID 159867194) has the molecular formula C141H176Cl2F5N21O4 and a molecular weight of 2395.00 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene
PubChem CID159867194
Molecular FormulaC141H176Cl2F5N21O4
Molecular Weight2395.00 g/mol
Exact Mass2392.35
IUPAC Name1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene
SMILESCOc1cccc(C)n1.COc1ccccc1C.COc1cccnc1C.Cc1ccc(C)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OC(C)C)nc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1C.Cc1cnc(C)cn1.Cc1cnccn1.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1ncccc1F
InChIInChI=1S/C11H17N3.C11H16N2.C10H15N3.C9H13NO.C8H10O.C7H7Cl.C7H6F3N.C7H7F.2C7H9NO.2C7H9N.2C7H8.C6H6ClN.C6H6FN.C6H8N2.C6H7N.C5H6N2/c1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-7(2)11-9-5-4-8(3)6-10-9;1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-5-6(7(8,9)10)3-2-4-11-5;1-6-4-2-3-5-7(6)8;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-7(8-6)9-2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;2*1-7-5-3-2-4-6-7;2*1-5-6(7)3-2-4-8-5;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5/h3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;2-3,8,11H,4-7H2,1H3;4-7H,1-3H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2*3-5H,1-2H3;2*3-5H,1-2H3;2*2-6H,1H3;2*2-4H,1H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3
InChIKeyNRWNQOMWZDXURV-UHFFFAOYSA-N
XLogP32.72
TPSA268.15 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds8
Heavy Atoms173
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002395.00
LogP ≤ 532.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Analyze 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene with MolForge

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Launch Full Analysis

Related Compounds

US11773078, Example 250
CID 146241322
6-[[[1-[2-(3-chloro-7-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44529194
US11773078, Example 121
CID 146241749
US11773078, Example 394
CID 146241023
US11773078, Example 69
CID 146241051
US11773078, Example 309
CID 146241301
US11773078, Example 254
CID 146241003
US11773078, Example 342
CID 146241070
US11773078, Example 74
CID 146241874
2-[1-[[2-(3,5-Dichlorophenyl)-6-[(6-piperazin-1-yl-3-pyridinyl)oxy]-4-pyridinyl]methyl]piperidin-4-yl]ethyl-hydroxy-dimethylazanium
CID 153361729
N-[[1-[[2-[3,5-bis(chloranyl)phenyl]-6-[6-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]pyridin-3-yl]oxy-pyridin-4-yl]methyl]piperidin-1-ium-4-yl]methyl]ethanamide
CID 163184886
7-chloro-6-[[[(2S)-4-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]morpholin-2-yl]methylamino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 11511904

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene?
The IUPAC name of 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene (CID 159867194) is 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene.
What is the SMILES notation for 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene?
The canonical SMILES for 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene is COc1cccc(C)n1.COc1ccccc1C.COc1cccnc1C.Cc1ccc(C)nc1.Cc1ccc(N2CCCCC2)nc1.Cc1ccc(N2CCN(C)CC2)nc1.Cc1ccc(N2CCNCC2)nc1.Cc1ccc(OC(C)C)nc1.Cc1cccc(Cl)c1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1F.Cc1ccccn1.Cc1cccnc1C.Cc1cnc(C)cn1.Cc1cnccn1.Cc1ncccc1C(F)(F)F.Cc1ncccc1Cl.Cc1ncccc1F.
What is the InChIKey of 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene?
The InChIKey is NRWNQOMWZDXURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3.C11H16N2.C10H15N3.C9H13NO.C8H10O.C7H7Cl.C7H6F3N.C7H7F.2C7H9NO.2C7H9N.2C7H8.C6H6ClN.C6H6FN.C6H8N2.C6H7N.C5H6N2/c1-10-3-4-11(12-9-10)14-7-5-13(2)6-8-14;1-10-5-6-11(12-9-10)13-7-3-2-4-8-13;1-9-2-3-10(12-8-9)13-6-4-11-5-7-13;1-7(2)11-9-5-4-8(3)6-10-9;1-7-5-3-4-6-8(7)9-2;1-6-3-2-4-7(8)5-6;1-5-6(7(8,9)10)3-2-4-11-5;1-6-4-2-3-5-7(6)8;1-6-7(9-2)4-3-5-8-6;1-6-4-3-5-7(8-6)9-2;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;2*1-7-5-3-2-4-6-7;2*1-5-6(7)3-2-4-8-5;1-5-3-8-6(2)4-7-5;1-6-4-2-3-5-7-6;1-5-4-6-2-3-7-5/h3-4,9H,5-8H2,1-2H3;5-6,9H,2-4,7-8H2,1H3;2-3,8,11H,4-7H2,1H3;4-7H,1-3H3;3-6H,1-2H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2*3-5H,1-2H3;2*3-5H,1-2H3;2*2-6H,1H3;2*2-4H,1H3;3-4H,1-2H3;2-5H,1H3;2-4H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene?
1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene has a molecular weight of 2395.00 g/mol, XLogP of 32.72, 8 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;3-chloro-2-methylpyridine;2,5-dimethylpyrazine;2,3-dimethylpyridine;2,5-dimethylpyridine;1-fluoro-2-methylbenzene;3-fluoro-2-methylpyridine;1-methoxy-2-methylbenzene;2-methoxy-6-methylpyridine;3-methoxy-2-methylpyridine;1-methyl-4-(5-methyl-2-pyridinyl)piperazine;5-methyl-2-piperidin-1-ylpyridine;5-methyl-2-propan-2-yloxypyridine;2-methylpyrazine;2-methylpyridine;1-(5-methyl-2-pyridinyl)piperazine;2-methyl-3-(trifluoromethyl)pyridine;toluene is sourced from PubChem (CID 159867194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).