2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid

C9H7F2N3O2 — CID 118840121

IUPAC2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1ncc(CC(=O)O)c(N)c1C(F)F
InChIInChI=1S/C9H7F2N3O2/c10-9(11)7-5(2-12)14-3-4(8(7)13)1-6(15)16/h3,9H,1H2,(H2,13,14)(H,15,16)
InChIKeyAJYZJEWAKFJERS-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.10
Rot. Bonds3

About 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid

2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 118840121) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID118840121
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESN#Cc1ncc(CC(=O)O)c(N)c1C(F)F
InChIInChI=1S/C9H7F2N3O2/c10-9(11)7-5(2-12)14-3-4(8(7)13)1-6(15)16/h3,9H,1H2,(H2,13,14)(H,15,16)
InChIKeyAJYZJEWAKFJERS-UHFFFAOYSA-N
XLogP1.10
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid 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-[4-(chloromethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118807262
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
2-[4-(bromomethyl)-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106774
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
2-[4-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 118799469
5-(aminomethyl)-4-bromo-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130108771
5-(aminomethyl)-4-chloro-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130071100
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
ethyl 2-[6-cyano-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 134686451

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid (CID 118840121) is 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid is N#Cc1ncc(CC(=O)O)c(N)c1C(F)F.
What is the InChIKey of 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is AJYZJEWAKFJERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c10-9(11)7-5(2-12)14-3-4(8(7)13)1-6(15)16/h3,9H,1H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 227.17 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118840121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).