4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile

C14H12ClN3O — CID 103292568

IUPAC4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
SMILESCOc1cccc(Cl)c1CNc1ccnc(C#N)c1
InChIInChI=1S/C14H12ClN3O/c1-19-14-4-2-3-13(15)12(14)9-18-10-5-6-17-11(7-10)8-16/h2-7H,9H2,1H3,(H,17,18)
InChIKeyXBMAGDDZFDPRNS-UHFFFAOYSA-N
MW273.72 g/mol
LogP3.23
Rot. Bonds4

About 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile

4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103292568) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
PubChem CID103292568
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
SMILESCOc1cccc(Cl)c1CNc1ccnc(C#N)c1
InChIInChI=1S/C14H12ClN3O/c1-19-14-4-2-3-13(15)12(14)9-18-10-5-6-17-11(7-10)8-16/h2-7H,9H2,1H3,(H,17,18)
InChIKeyXBMAGDDZFDPRNS-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

5-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile
CID 103292558
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorobenzonitrile
CID 103292573
2-[(2-chloro-6-methoxyphenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 103292554
5-[(2-chloro-6-methoxyphenyl)methylamino]-2-methylphenol
CID 107700839
N-[(2-chloro-6-methoxyphenyl)methyl]-4-iodoaniline
CID 104815730
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylpyrazin-2-amine
CID 103292832
5-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-3-amine
CID 103854608
methyl 3-[(2-chloro-6-methoxyphenyl)methylamino]benzoate
CID 115884786
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-fluorophenol
CID 104816016
4-(3-methoxyanilino)pyridine-2-carbonitrile
CID 55157440
6-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-methylpyridine-2,6-diamine
CID 103293605

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile (CID 103292568) is 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile is COc1cccc(Cl)c1CNc1ccnc(C#N)c1.
What is the InChIKey of 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is XBMAGDDZFDPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-19-14-4-2-3-13(15)12(14)9-18-10-5-6-17-11(7-10)8-16/h2-7H,9H2,1H3,(H,17,18).
What are the key properties of 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile?
4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile 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 4-[(2-chloro-6-methoxyphenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103292568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).