1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene

C60H62Cl5F4N5 — CID 163448845

IUPAC1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3
InChIKeyBEVKEGZNPBUWJA-UHFFFAOYSA-N
MW1106.45 g/mol
LogP19.37
Rot. Bonds

About 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene

1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene (PubChem CID 163448845) has the molecular formula C60H62Cl5F4N5 and a molecular weight of 1106.45 g/mol. Its IUPAC name is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene.

Molecular Properties

Compound Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene
PubChem CID163448845
Molecular FormulaC60H62Cl5F4N5
Molecular Weight1106.45 g/mol
Exact Mass1103.34
IUPAC Name1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene
SMILESCc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C
InChIInChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3
InChIKeyBEVKEGZNPBUWJA-UHFFFAOYSA-N
XLogP19.37
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001106.45
LogP ≤ 519.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene with MolForge

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Launch Full Analysis

Related Compounds

4-(2-Chloro-4-fluorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726575
4-(2,4-Dichlorophenyl)-2-methyl-5-(2-pyridin-3-yl-4-pyridinyl)pyrimidine
CID 118726576
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 23000397
4-Chloro-5-(4-fluorophenyl)-2,6-bis-(4-pyridyl)-pyrimidine
CID 23000487
2-[(2,6-Dichlorophenyl)methyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidine
CID 23000519
N-[2-(2,6-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 23000535
4-(3-Chloro-4-fluorophenyl)-2-(2-ethylpiperidin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761036
1-[4-(3-chloro-4-fluorophenyl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidin-2-yl]-N,N-diethylpiperidin-4-amine
CID 57761041
4-(3-Chloro-4-fluorophenyl)-6-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 57761108
4-(3-chloro-4-fluorophenyl)-6-[(2R)-4-(3-chloro-2-pyridinyl)-2-methylpiperazin-1-yl]-2-(2-methylpiperidin-1-yl)pyrimidine
CID 57761113
4-(3-Chloro-4-fluorophenyl)-2-(3,4-dimethylpiperazin-1-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761154
4-(3-Chloro-4-fluorophenyl)-2-(3-methylpyridin-2-yl)-6-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyrimidine
CID 57761182

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene?
The IUPAC name of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene (CID 163448845) is 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene.
What is the SMILES notation for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene?
The canonical SMILES for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene is Cc1c(Cl)cccc1Cl.Cc1c(Cl)cncc1Cl.Cc1c(F)cccc1F.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1ccncc1.Cc1ccncc1F.Cc1cncnc1C.
What is the InChIKey of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene?
The InChIKey is BEVKEGZNPBUWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C7H6Cl2.C7H7Cl.C7H6F2.C7H7F.C6H5Cl2N.C6H6FN.C6H8N2.C6H7N/c1-7-5-3-4-6-8(7)2;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-5-6(8)3-2-4-7(5)9;1-6-4-2-3-5-7(6)8;1-4-5(7)2-9-3-6(4)8;1-5-2-3-8-4-6(5)7;1-5-3-7-4-8-6(5)2;1-6-2-4-7-5-3-6/h3-6H,1-2H3;2-4H,1H3;2-5H,1H3;2-4H,1H3;2-5H,1H3;2-3H,1H3;2-4H,1H3;3-4H,1-2H3;2-5H,1H3.
What are the key properties of 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene?
1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene has a molecular weight of 1106.45 g/mol, XLogP of 19.37, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methylbenzene;1,3-dichloro-2-methylbenzene;3,5-dichloro-4-methylpyridine;1,3-difluoro-2-methylbenzene;4,5-dimethylpyrimidine;1-fluoro-2-methylbenzene;3-fluoro-4-methylpyridine;4-methylpyridine;1,2-xylene is sourced from PubChem (CID 163448845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).