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

C9H10F2N2O2 — CID 134663918

IUPAC2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1c(CC(=O)O)cnc(C(F)F)c1N
InChIInChI=1S/C9H10F2N2O2/c1-4-5(2-6(14)15)3-13-8(7(4)12)9(10)11/h3,9H,2,12H2,1H3,(H,14,15)
InChIKeyZYXQACPVOGKJBR-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.54
Rot. Bonds3

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

2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid (PubChem CID 134663918) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
PubChem CID134663918
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
SMILESCc1c(CC(=O)O)cnc(C(F)F)c1N
InChIInChI=1S/C9H10F2N2O2/c1-4-5(2-6(14)15)3-13-8(7(4)12)9(10)11/h3,9H,2,12H2,1H3,(H,14,15)
InChIKeyZYXQACPVOGKJBR-UHFFFAOYSA-N
XLogP1.54
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[5-amino-6-(difluoromethyl)-4-methyl-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

5-(aminomethyl)-2-(difluoromethyl)-4-methylpyridin-3-amine
CID 130106302
2-[5-amino-6-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671566
2-[5-(bromomethyl)-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090266
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[5-(bromomethyl)-2-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 130090297
2-[4-amino-2-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118829164
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821
2-[5-bromo-2-(difluoromethyl)-3-methyl-4-pyridinyl]acetic acid
CID 130069517
5-amino-2-(difluoromethyl)-3-methylpyridine-4-carboxylic acid
CID 130106575
2-[4-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118805918
2-[5-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101306
2-[4-amino-5-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673432

Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid (CID 134663918) is 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid is Cc1c(CC(=O)O)cnc(C(F)F)c1N.
What is the InChIKey of 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
The InChIKey is ZYXQACPVOGKJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-5(2-6(14)15)3-13-8(7(4)12)9(10)11/h3,9H,2,12H2,1H3,(H,14,15).
What are the key properties of 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid?
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid has a molecular weight of 216.19 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 134663918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).