2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile

C8H7F2N3O — CID 130104808

IUPAC2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(N)c(C(F)F)c1O
InChIInChI=1S/C8H7F2N3O/c9-8(10)6-4(12)3-13-5(1-2-11)7(6)14/h3,8,14H,1,12H2
InChIKeyTUPXDPZOFFIUKF-UHFFFAOYSA-N
MW199.16 g/mol
LogP1.37
Rot. Bonds2

About 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile

2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (PubChem CID 130104808) has the molecular formula C8H7F2N3O and a molecular weight of 199.16 g/mol. Its IUPAC name is 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
PubChem CID130104808
Molecular FormulaC8H7F2N3O
Molecular Weight199.16 g/mol
Exact Mass199.06
IUPAC Name2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile
SMILESN#CCc1ncc(N)c(C(F)F)c1O
InChIInChI=1S/C8H7F2N3O/c9-8(10)6-4(12)3-13-5(1-2-11)7(6)14/h3,8,14H,1,12H2
InChIKeyTUPXDPZOFFIUKF-UHFFFAOYSA-N
XLogP1.37
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile 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

5-amino-2-(bromomethyl)-4-(difluoromethyl)pyridin-3-ol
CID 130104710
2-[4-(difluoromethyl)-3-hydroxy-5-methoxy-2-pyridinyl]acetonitrile
CID 118823951
2-[4-amino-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetonitrile
CID 118811281
2-[5-(difluoromethyl)-4-fluoro-3-hydroxy-2-pyridinyl]acetonitrile
CID 130079552
2-[4-(difluoromethyl)-5-hydroxy-3-iodo-2-pyridinyl]acetonitrile
CID 118852004
2-[4-amino-3-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118812030
2-[4-amino-3-(difluoromethyl)-5-nitro-2-pyridinyl]acetonitrile
CID 130106921
2-[4-(aminomethyl)-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130074972
2-[4-amino-3-(difluoromethyl)-6-fluoro-2-pyridinyl]acetonitrile
CID 118817715
3-amino-2-(cyanomethyl)-5-(difluoromethyl)pyridine-4-carbonitrile
CID 130103544
2-[4-amino-6-(aminomethyl)-3-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 134683339
2-[5-bromo-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetonitrile
CID 130069322

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile (CID 130104808) is 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is N#CCc1ncc(N)c(C(F)F)c1O.
What is the InChIKey of 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
The InChIKey is TUPXDPZOFFIUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N3O/c9-8(10)6-4(12)3-13-5(1-2-11)7(6)14/h3,8,14H,1,12H2.
What are the key properties of 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile?
2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile has a molecular weight of 199.16 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-4-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetonitrile is sourced from PubChem (CID 130104808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).