2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid

C12H12F2N4O3 — CID 175461631

IUPAC2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid
SMILESCn1nnc(-c2ccc(CC(=O)O)c(C(F)F)n2)c1CO
InChIInChI=1S/C12H12F2N4O3/c1-18-8(5-19)11(16-17-18)7-3-2-6(4-9(20)21)10(15-7)12(13)14/h2-3,12,19H,4-5H2,1H3,(H,20,21)
InChIKeyQXFINVKAZTXFKM-UHFFFAOYSA-N
MW298.25 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid

2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid (PubChem CID 175461631) has the molecular formula C12H12F2N4O3 and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid
PubChem CID175461631
Molecular FormulaC12H12F2N4O3
Molecular Weight298.25 g/mol
Exact Mass298.09
IUPAC Name2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid
SMILESCn1nnc(-c2ccc(CC(=O)O)c(C(F)F)n2)c1CO
InChIInChI=1S/C12H12F2N4O3/c1-18-8(5-19)11(16-17-18)7-3-2-6(4-9(20)21)10(15-7)12(13)14/h2-3,12,19H,4-5H2,1H3,(H,20,21)
InChIKeyQXFINVKAZTXFKM-UHFFFAOYSA-N
XLogP0.93
TPSA101.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-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-(4-Tert-butyl-2-pyridinyl)-3-(trifluoromethyl)triazole-4-carboxylic acid
CID 68973713
(4-(5-(Difluoromethyl)pyridin-2-yl)-1-methyl-1H-1,2,3-triazol-5-yl)methanol
CID 162723293
methyl 2-[(3S)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]-5,5-difluoropiperidin-3-yl]acetate
CID 162729709
ethyl 2-[(3R)-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-(trifluoromethyl)-3-pyridinyl]piperidin-3-yl]acetate
CID 162729754
Methyl 1-[[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]methyl]-5,5-difluoropiperidine-3-carboxylate
CID 163500384
methyl 2-[(3S)-5,5-difluoro-1-[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetate
CID 163735873
Methyl 5,5-difluoro-1-[[6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]methyl]piperidine-3-carboxylate
CID 169096042
Ethyl 2-[1-[4-fluoro-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-2-methyl-3-pyridinyl]piperidin-3-yl]acetate
CID 169096055
ethyl 2-[(3R)-1-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 169096113
methyl 2-[(3S)-1-[2-cyano-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]-5,5-difluoropiperidin-3-yl]acetate
CID 169096159
Ethyl 2-[1-[2-ethyl-4-fluoro-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]piperidin-3-yl]acetate
CID 169096230
tert-butyl 2-[(3S)-1-[2-ethyl-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]-5,5-difluoropiperidin-3-yl]acetate
CID 170742076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid (CID 175461631) is 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid is Cn1nnc(-c2ccc(CC(=O)O)c(C(F)F)n2)c1CO.
What is the InChIKey of 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid?
The InChIKey is QXFINVKAZTXFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O3/c1-18-8(5-19)11(16-17-18)7-3-2-6(4-9(20)21)10(15-7)12(13)14/h2-3,12,19H,4-5H2,1H3,(H,20,21).
What are the key properties of 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid?
2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid has a molecular weight of 298.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-6-[5-(hydroxymethyl)-1-methyltriazol-4-yl]-3-pyridinyl]acetic acid is sourced from PubChem (CID 175461631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).