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

C13H9ClFN3O — CID 107469806

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O/c1-19-11-4-2-3-8(6-16)12(11)18-13-10(15)5-9(14)7-17-13/h2-5,7H,1H3,(H,17,18)
InChIKeyLFHFQKJGIOQJSY-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.50
Rot. Bonds3

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

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile (PubChem CID 107469806) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
PubChem CID107469806
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1Nc1ncc(Cl)cc1F
InChIInChI=1S/C13H9ClFN3O/c1-19-11-4-2-3-8(6-16)12(11)18-13-10(15)5-9(14)7-17-13/h2-5,7H,1H3,(H,17,18)
InChIKeyLFHFQKJGIOQJSY-UHFFFAOYSA-N
XLogP3.50
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-amino-5-chloro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107466443
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
2-[(5-bromopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107469799
2-[(5-aminopyrimidin-4-yl)amino]-3-methoxybenzonitrile
CID 107466532
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
2-[(5-bromo-1,3,4-thiadiazol-2-yl)amino]-3-methoxybenzonitrile
CID 107468954
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[1-(5-bromo-2-fluorophenyl)ethylamino]-3-methoxybenzonitrile
CID 107466874
5-(2-cyano-6-methoxyanilino)pyrazine-2-carboxylic acid
CID 107468716
2-(2-amino-3-chloroanilino)-3-methoxybenzonitrile
CID 107466457

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile (CID 107469806) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile is COc1cccc(C#N)c1Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
The InChIKey is LFHFQKJGIOQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c1-19-11-4-2-3-8(6-16)12(11)18-13-10(15)5-9(14)7-17-13/h2-5,7H,1H3,(H,17,18).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile has a molecular weight of 277.69 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile is sourced from PubChem (CID 107469806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).