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

C9H7F2N3O2 — CID 119023577

IUPAC2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESN#Cc1cnc(N)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H7F2N3O2/c10-8(11)7-5(1-6(15)16)4(2-12)3-14-9(7)13/h3,8H,1H2,(H2,13,14)(H,15,16)
InChIKeyMJIOOYSITBUFOF-UHFFFAOYSA-N
MW227.17 g/mol
LogP1.10
Rot. Bonds3

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

2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 119023577) has the molecular formula C9H7F2N3O2 and a molecular weight of 227.17 g/mol. Its IUPAC name is 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID119023577
Molecular FormulaC9H7F2N3O2
Molecular Weight227.17 g/mol
Exact Mass227.05
IUPAC Name2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESN#Cc1cnc(N)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H7F2N3O2/c10-8(11)7-5(1-6(15)16)4(2-12)3-14-9(7)13/h3,8H,1H2,(H2,13,14)(H,15,16)
InChIKeyMJIOOYSITBUFOF-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-[2-amino-5-cyano-3-(difluoromethyl)-4-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-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432
2-[5-cyano-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130076328
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
2-[6-cyano-2-(difluoromethyl)-3-ethylphenyl]acetic acid
CID 134615287
6-amino-5-(difluoromethyl)-4-fluoropyridine-3-carbonitrile
CID 119020377
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2-[4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118816063
2-[2-cyano-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 130078441
ethyl 2-[2-chloro-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134676476
2-[5-cyano-4-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134684158

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid (CID 119023577) is 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid is N#Cc1cnc(N)c(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is MJIOOYSITBUFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O2/c10-8(11)7-5(1-6(15)16)4(2-12)3-14-9(7)13/h3,8H,1H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[2-amino-5-cyano-3-(difluoromethyl)-4-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-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 119023577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).