2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile

C13H11ClN4O — CID 107466443

IUPAC2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ncc(Cl)cc1N
InChIInChI=1S/C13H11ClN4O/c1-19-11-4-2-3-8(6-15)12(11)18-13-10(16)5-9(14)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeySGNFICZOFLRRBL-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.94
Rot. Bonds3

About 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile

2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile (PubChem CID 107466443) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
PubChem CID107466443
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ncc(Cl)cc1N
InChIInChI=1S/C13H11ClN4O/c1-19-11-4-2-3-8(6-15)12(11)18-13-10(16)5-9(14)7-17-13/h2-5,7H,16H2,1H3,(H,17,18)
InChIKeySGNFICZOFLRRBL-UHFFFAOYSA-N
XLogP2.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107469806
2-[(5-aminopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107466532
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457
2-(4-amino-3-methylanilino)-3-methoxybenzonitrile
CID 107466454
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
2-[(6-amino-5-nitropyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107470005
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107468954
2-(4-amino-3-ethoxyanilino)-3-methoxybenzonitrile
CID 107466512
5-amino-2-(2,6-dichloroanilino)pyridine-3-carbonitrile
CID 65469093
5-chloro-2-N-(3-methylphenyl)pyridine-2,3-diamine
CID 79021710
2-[(6-amino-1,3-benzothiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107466529

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile (CID 107466443) is 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile is COc1cccc(C#N)c1Nc1ncc(Cl)cc1N.
What is the InChIKey of 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The InChIKey is SGNFICZOFLRRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-19-11-4-2-3-8(6-15)12(11)18-13-10(16)5-9(14)7-17-13/h2-5,7H,16H2,1H3,(H,17,18).
What are the key properties of 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile?
2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).