4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile

C12H7ClFN3 — CID 79728798

IUPAC4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H7ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,(H,16,17)
InChIKeyWLQWEEVIKOJUHP-UHFFFAOYSA-N
MW247.66 g/mol
LogP3.49
Rot. Bonds2

About 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile

4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile (PubChem CID 79728798) has the molecular formula C12H7ClFN3 and a molecular weight of 247.66 g/mol. Its IUPAC name is 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile.

Molecular Properties

Compound Name4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
PubChem CID79728798
Molecular FormulaC12H7ClFN3
Molecular Weight247.66 g/mol
Exact Mass247.03
IUPAC Name4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
SMILESN#Cc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C12H7ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,(H,16,17)
InChIKeyWLQWEEVIKOJUHP-UHFFFAOYSA-N
XLogP3.49
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
CID 79727692
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]benzonitrile
CID 79727723
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
5-chloro-6-(4-chloroanilino)pyridine-3-carbonitrile
CID 69074354
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
5-chloro-N-(2,6-difluorophenyl)-3-fluoropyridin-2-amine
CID 79727964
5-chloro-N-(2,6-dichlorophenyl)-3-fluoropyridin-2-amine
CID 79727188
N-(5-chloro-3-fluoro-2-pyridinyl)quinolin-3-amine
CID 79728611
5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
CID 107586511
4-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]benzonitrile
CID 79727609
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-methoxybenzonitrile
CID 107469806

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile?
The IUPAC name of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile (CID 79728798) is 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile.
What is the SMILES notation for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile?
The canonical SMILES for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile is N#Cc1ccc(Nc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile?
The InChIKey is WLQWEEVIKOJUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3/c13-9-5-11(14)12(16-7-9)17-10-3-1-8(6-15)2-4-10/h1-5,7H,(H,16,17).
What are the key properties of 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile?
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile has a molecular weight of 247.66 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile is sourced from PubChem (CID 79728798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).