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

C13H9ClFN3 — CID 79727692

IUPAC2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClFN3/c14-10-7-12(15)13(17-8-10)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5H2,(H,17,18)
InChIKeyQDULHCCLTMIGRR-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.68
Rot. Bonds3

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

2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile (PubChem CID 79727692) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
PubChem CID79727692
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2ncc(Cl)cc2F)cc1
InChIInChI=1S/C13H9ClFN3/c14-10-7-12(15)13(17-8-10)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5H2,(H,17,18)
InChIKeyQDULHCCLTMIGRR-UHFFFAOYSA-N
XLogP3.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
N-[4-(aminomethyl)phenyl]-5-chloro-3-fluoropyridin-2-amine
CID 113398009
5-chloro-3-fluoro-N-(4-propoxyphenyl)pyridin-2-amine
CID 79727989
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]benzonitrile
CID 79727723
5-chloro-N-(3,5-dimethylphenyl)-3-fluoropyridin-2-amine
CID 79727161
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
2-[4-[[4-[3-chloro-4-(cyanomethoxy)anilino]-5-fluoropyrimidin-2-yl]amino]phenyl]acetonitrile
CID 66938999
2-[4-(4-fluoroanilino)phenyl]acetonitrile
CID 82537219
2-[4-[(5-aminopyrimidin-2-yl)amino]phenyl]acetonitrile
CID 62303544
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile (CID 79727692) is 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile is N#CCc1ccc(Nc2ncc(Cl)cc2F)cc1.
What is the InChIKey of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile?
The InChIKey is QDULHCCLTMIGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-10-7-12(15)13(17-8-10)18-11-3-1-9(2-4-11)5-6-16/h1-4,7-8H,5H2,(H,17,18).
What are the key properties of 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile?
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-chloro-3-fluoro-2-pyridinyl)amino]phenyl]acetonitrile is sourced from PubChem (CID 79727692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).