5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile

C14H12ClN3 — CID 62995378

IUPAC5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
SMILESCc1ccc(CNc2ccc(Cl)cc2C#N)cn1
InChIInChI=1S/C14H12ClN3/c1-10-2-3-11(8-17-10)9-18-14-5-4-13(15)6-12(14)7-16/h2-6,8,18H,9H2,1H3
InChIKeyOKEDRIBMUVKYOO-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.53
Rot. Bonds3

About 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile

5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile (PubChem CID 62995378) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
PubChem CID62995378
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile
SMILESCc1ccc(CNc2ccc(Cl)cc2C#N)cn1
InChIInChI=1S/C14H12ClN3/c1-10-2-3-11(8-17-10)9-18-14-5-4-13(15)6-12(14)7-16/h2-6,8,18H,9H2,1H3
InChIKeyOKEDRIBMUVKYOO-UHFFFAOYSA-N
XLogP3.53
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[[4-(dimethylamino)phenyl]methylamino]benzonitrile
CID 133302013
5-chloro-2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756549
4-[(4-chloro-2-cyanoanilino)methyl]-N-methylbenzamide
CID 133285780
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
5-chloro-2-[(4-ethoxy-3-methoxyphenyl)methylamino]benzonitrile
CID 133285832
2-chloro-4-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821823
methyl 4-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 104821857
5-chloro-2-[[3-(1-methylpyrazol-4-yl)phenyl]methylamino]benzonitrile
CID 133411666
5-chloro-2-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669739
4-bromo-2-fluoro-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104821802
5-fluoro-2-[(5-methylpyrazin-2-yl)methylamino]benzonitrile
CID 63673297
5-chloro-2-[2-(methylamino)ethylamino]benzonitrile
CID 62658191

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile (CID 62995378) is 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile is Cc1ccc(CNc2ccc(Cl)cc2C#N)cn1.
What is the InChIKey of 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile?
The InChIKey is OKEDRIBMUVKYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10-2-3-11(8-17-10)9-18-14-5-4-13(15)6-12(14)7-16/h2-6,8,18H,9H2,1H3.
What are the key properties of 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile?
5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(6-methyl-3-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 62995378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).