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

C14H12ClN3O — CID 60733884

IUPAC2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ncccc1CNc1cccc(Cl)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-19-14-10(4-3-7-17-14)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3
InChIKeyRVUZNDJHOOQSLW-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.23
Rot. Bonds4

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

2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile (PubChem CID 60733884) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
PubChem CID60733884
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
SMILESCOc1ncccc1CNc1cccc(Cl)c1C#N
InChIInChI=1S/C14H12ClN3O/c1-19-14-10(4-3-7-17-14)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3
InChIKeyRVUZNDJHOOQSLW-UHFFFAOYSA-N
XLogP3.23
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(quinolin-8-ylmethylamino)benzonitrile
CID 81426754
2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
2-[(2-aminophenyl)methylamino]-6-chlorobenzonitrile
CID 55079654
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243
3-[(2-methoxy-3-pyridinyl)methylamino]pyridazine-4-carbonitrile
CID 80515426
2-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-4-nitroaniline
CID 46604120
4-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methylamino]-2-methoxypyridine-3-carbonitrile
CID 56753439
N-[(2,4-dichlorophenyl)methyl]-2-methoxypyridin-3-amine
CID 43721777
2-chloro-6-[(1,3-dimethylpyrazol-4-yl)methylamino]benzonitrile
CID 112669738
2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-6-chlorobenzonitrile
CID 79523799

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile (CID 60733884) is 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile is COc1ncccc1CNc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile?
The InChIKey is RVUZNDJHOOQSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-14-10(4-3-7-17-14)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3.
What are the key properties of 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile?
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile has a molecular weight of 273.72 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 60733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).