5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile

C13H8ClF2N3O — CID 177182301

IUPAC5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H8ClF2N3O/c14-8-5-11(12(6-17)18-7-8)19-9-1-3-10(4-2-9)20-13(15)16/h1-5,7,13,19H
InChIKeyPNFGKYGNJKZGHN-UHFFFAOYSA-N
MW295.68 g/mol
LogP3.95
Rot. Bonds4

About 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile

5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile (PubChem CID 177182301) has the molecular formula C13H8ClF2N3O and a molecular weight of 295.68 g/mol. Its IUPAC name is 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile
PubChem CID177182301
Molecular FormulaC13H8ClF2N3O
Molecular Weight295.68 g/mol
Exact Mass295.03
IUPAC Name5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile
SMILESN#Cc1ncc(Cl)cc1Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C13H8ClF2N3O/c14-8-5-11(12(6-17)18-7-8)19-9-1-3-10(4-2-9)20-13(15)16/h1-5,7,13,19H
InChIKeyPNFGKYGNJKZGHN-UHFFFAOYSA-N
XLogP3.95
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[6-cyano-5-[4-(difluoromethoxy)anilino]-3-pyridinyl]-N-(2,2,2-trifluoroethyl)carbamate
CID 177182281
5-bromo-2-[4-(difluoromethoxy)anilino]benzonitrile
CID 114890441
4-amino-3-[4-(difluoromethoxy)anilino]benzonitrile
CID 104711485
4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
CID 107933329
2-[4-(difluoromethoxy)anilino]-5-nitrobenzonitrile
CID 9311738
N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
CID 56636646
3-(4-fluoroanilino)-5-[(4-fluorophenyl)methyl]pyridine-2-carbonitrile
CID 59799018
3-chloro-4-[[4-(difluoromethoxy)anilino]methyl]benzonitrile
CID 102664015
3,5-dichloro-N-[4-(difluoromethoxy)phenyl]-6-hydrazinylpyridin-2-amine
CID 102762170
5-bromo-N-[4-(difluoromethoxy)phenyl]pyridin-2-amine
CID 61373209
4-[(5-chloro-3-fluoro-2-pyridinyl)amino]benzonitrile
CID 79728798
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
CID 62589407

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile (CID 177182301) is 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile is N#Cc1ncc(Cl)cc1Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile?
The InChIKey is PNFGKYGNJKZGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O/c14-8-5-11(12(6-17)18-7-8)19-9-1-3-10(4-2-9)20-13(15)16/h1-5,7,13,19H.
What are the key properties of 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile?
5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile has a molecular weight of 295.68 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(difluoromethoxy)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 177182301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).