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

C9H10F2N2O2 — CID 134664300

IUPAC2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1nc(N)cc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H10F2N2O2/c1-4-5(3-8(14)15)6(9(10)11)2-7(12)13-4/h2,9H,3H2,1H3,(H2,12,13)(H,14,15)
InChIKeyQGLRGROPZZESCO-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.54
Rot. Bonds3

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

2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid (PubChem CID 134664300) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
PubChem CID134664300
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1nc(N)cc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H10F2N2O2/c1-4-5(3-8(14)15)6(9(10)11)2-7(12)13-4/h2,9H,3H2,1H3,(H2,12,13)(H,14,15)
InChIKeyQGLRGROPZZESCO-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

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Related Compounds

2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
methyl 2-[6-amino-2-bromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134669816
2-[6-amino-2-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 134671561
2-[6-amino-3-chloro-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 134661764
2-[6-(difluoromethyl)-4-methoxy-2-methyl-3-pyridinyl]acetic acid
CID 133099700
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-[6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082399
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-(2,4-diamino-6-methylpyrimidin-5-yl)acetic acid
CID 45071760
2-[6-(chloromethyl)-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetic acid
CID 130087649
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982

Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid (CID 134664300) is 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid is Cc1nc(N)cc(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The InChIKey is QGLRGROPZZESCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-4-5(3-8(14)15)6(9(10)11)2-7(12)13-4/h2,9H,3H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
2-[6-amino-4-(difluoromethyl)-2-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-[6-amino-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 134664300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).