1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene

C88H89Cl2F20N7 — CID 159393333

IUPAC1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene
SMILESCCc1cccc(C)c1.Cc1cc(C(F)(F)F)ccn1.Cc1cc(C(F)F)ccn1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)F)c1.Cc1cncc(Cl)c1
InChIInChI=1S/C9H12.C8H7F3.C8H8F2.C8H10.C7H7Cl.3C7H6F3N.3C7H7F2N.C6H6ClN/c1-3-9-6-4-5-8(2)7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(4-11-3-5)7(8,9)10;1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-6(7(8)9)4-10-3-5;1-5-4-6(7(8)9)2-3-10-5;1-5-2-3-10-6(4-5)7(8)9;1-5-2-6(7)4-8-3-5/h4-7H,3H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-4,7H,1H3;2-4H,1H3
InChIKeyLMKARMQPFXIDMP-UHFFFAOYSA-N
MW1695.59 g/mol
LogP29.71
Rot. Bonds5

About 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene

1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene (PubChem CID 159393333) has the molecular formula C88H89Cl2F20N7 and a molecular weight of 1695.59 g/mol. Its IUPAC name is 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene.

Molecular Properties

Compound Name1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene
PubChem CID159393333
Molecular FormulaC88H89Cl2F20N7
Molecular Weight1695.59 g/mol
Exact Mass1693.62
IUPAC Name1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene
SMILESCCc1cccc(C)c1.Cc1cc(C(F)(F)F)ccn1.Cc1cc(C(F)F)ccn1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)F)c1.Cc1cncc(Cl)c1
InChIInChI=1S/C9H12.C8H7F3.C8H8F2.C8H10.C7H7Cl.3C7H6F3N.3C7H7F2N.C6H6ClN/c1-3-9-6-4-5-8(2)7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(4-11-3-5)7(8,9)10;1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-6(7(8)9)4-10-3-5;1-5-4-6(7(8)9)2-3-10-5;1-5-2-3-10-6(4-5)7(8)9;1-5-2-6(7)4-8-3-5/h4-7H,3H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-4,7H,1H3;2-4H,1H3
InChIKeyLMKARMQPFXIDMP-UHFFFAOYSA-N
XLogP29.71
TPSA90.23 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms117
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001695.59
LogP ≤ 529.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene?
The IUPAC name of 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene (CID 159393333) is 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene.
What is the SMILES notation for 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene?
The canonical SMILES for 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene is CCc1cccc(C)c1.Cc1cc(C(F)(F)F)ccn1.Cc1cc(C(F)F)ccn1.Cc1cccc(C(F)(F)F)c1.Cc1cccc(C(F)F)c1.Cc1cccc(C)c1.Cc1cccc(Cl)c1.Cc1ccnc(C(F)(F)F)c1.Cc1ccnc(C(F)F)c1.Cc1cncc(C(F)(F)F)c1.Cc1cncc(C(F)F)c1.Cc1cncc(Cl)c1.
What is the InChIKey of 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene?
The InChIKey is LMKARMQPFXIDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H7F3.C8H8F2.C8H10.C7H7Cl.3C7H6F3N.3C7H7F2N.C6H6ClN/c1-3-9-6-4-5-8(2)7-9;1-6-3-2-4-7(5-6)8(9,10)11;1-6-3-2-4-7(5-6)8(9)10;1-7-4-3-5-8(2)6-7;1-6-3-2-4-7(8)5-6;1-5-2-6(4-11-3-5)7(8,9)10;1-5-4-6(2-3-11-5)7(8,9)10;1-5-2-3-11-6(4-5)7(8,9)10;1-5-2-6(7(8)9)4-10-3-5;1-5-4-6(7(8)9)2-3-10-5;1-5-2-3-10-6(4-5)7(8)9;1-5-2-6(7)4-8-3-5/h4-7H,3H2,1-2H3;2-5H,1H3;2-5,8H,1H3;3-6H,1-2H3;2-5H,1H3;3*2-4H,1H3;3*2-4,7H,1H3;2-4H,1H3.
What are the key properties of 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene?
1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene has a molecular weight of 1695.59 g/mol, XLogP of 29.71, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylbenzene;3-chloro-5-methylpyridine;1-(difluoromethyl)-3-methylbenzene;2-(difluoromethyl)-4-methylpyridine;3-(difluoromethyl)-5-methylpyridine;4-(difluoromethyl)-2-methylpyridine;1-ethyl-3-methylbenzene;1-methyl-3-(trifluoromethyl)benzene;2-methyl-4-(trifluoromethyl)pyridine;3-methyl-5-(trifluoromethyl)pyridine;4-methyl-2-(trifluoromethyl)pyridine;1,3-xylene is sourced from PubChem (CID 159393333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).