3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile

C13H10F2N4 — CID 103468207

IUPAC3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C13H10F2N4/c14-9-2-1-8(10(15)5-9)7-18-13-4-3-11(17)12(6-16)19-13/h1-5H,7,17H2,(H,18,19)
InChIKeyZOLWXIWRVRPSLU-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.43
Rot. Bonds3

About 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile

3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile (PubChem CID 103468207) has the molecular formula C13H10F2N4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
PubChem CID103468207
Molecular FormulaC13H10F2N4
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile
SMILESN#Cc1nc(NCc2ccc(F)cc2F)ccc1N
InChIInChI=1S/C13H10F2N4/c14-9-2-1-8(10(15)5-9)7-18-13-4-3-11(17)12(6-16)19-13/h1-5H,7,17H2,(H,18,19)
InChIKeyZOLWXIWRVRPSLU-UHFFFAOYSA-N
XLogP2.43
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-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-N-[(2,4-difluorophenyl)methyl]-6-propoxypyridine-2,5-diamine
CID 62229237
3-amino-6-[[2-(trifluoromethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 103468304
2-[(2,4-difluorophenyl)methylamino]pyridine-4-carbonitrile
CID 62229071
3-amino-5-[(2,4-difluorophenyl)methylamino]thiophene-2-carbonitrile
CID 103525851
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
4-[(2,4-difluorophenyl)methylamino]-2-oxo-1H-pyrimidine-6-carbonitrile
CID 115143591
3-amino-6-[[3-(hydroxymethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 107231916
3-amino-6-(3,4,5-trifluoroanilino)pyridine-2-carbonitrile
CID 103468291
3-amino-6-(1,3-thiazol-5-ylmethylamino)pyridine-2-carbonitrile
CID 103469216
2-[(2,4-difluorophenyl)methylamino]pyrimidine-4-carbonitrile
CID 107544298
2-[(2,4-difluorophenyl)methylamino]-6-methylpyridine-3-carbonitrile
CID 62227755
ethyl N-[2-amino-6-[(2,4-difluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 10426258

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile (CID 103468207) is 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile is N#Cc1nc(NCc2ccc(F)cc2F)ccc1N.
What is the InChIKey of 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile?
The InChIKey is ZOLWXIWRVRPSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4/c14-9-2-1-8(10(15)5-9)7-18-13-4-3-11(17)12(6-16)19-13/h1-5H,7,17H2,(H,18,19).
What are the key properties of 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile?
3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile has a molecular weight of 260.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(2,4-difluorophenyl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).