2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile

C13H9F2N3 — CID 62229071

IUPAC2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H9F2N3/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,8H2,(H,17,18)
InChIKeyCADNZWQUQIXCJV-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.84
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile

2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile (PubChem CID 62229071) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
PubChem CID62229071
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCc2ccc(F)cc2F)c1
InChIInChI=1S/C13H9F2N3/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,8H2,(H,17,18)
InChIKeyCADNZWQUQIXCJV-UHFFFAOYSA-N
XLogP2.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544298
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
CID 103468207
3-fluoro-4-[[(5-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 63359185
3-fluoro-4-[(4-fluoro-2-iodoanilino)methyl]benzonitrile
CID 79769186
2-cyclopropyl-N-[(2,4-difluorophenyl)methyl]pyrimidin-4-amine
CID 154582588
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 62615257
3-fluoro-4-[(1,3-thiazol-2-ylamino)methyl]benzonitrile
CID 63359664
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
2-(1,3-thiazol-2-ylmethylamino)pyridine-4-carbonitrile
CID 61284852
2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 62880130
6-[2-(2,4-difluorophenyl)ethylamino]pyridine-3-carbonitrile
CID 133302426
3-fluoro-4-[[(5-nitro-2-pyridinyl)amino]methyl]benzonitrile
CID 63359621

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile (CID 62229071) is 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCc2ccc(F)cc2F)c1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is CADNZWQUQIXCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-11-2-1-10(12(15)6-11)8-18-13-5-9(7-16)3-4-17-13/h1-6H,8H2,(H,17,18).
What are the key properties of 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile?
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 245.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 62229071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).