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

C9H10F2N2O3 — CID 134676666

IUPAC2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)c(N)c(C(F)F)n1
InChIInChI=1S/C9H10F2N2O3/c1-16-5-2-4(3-6(14)15)7(12)8(13-5)9(10)11/h2,9H,3,12H2,1H3,(H,14,15)
InChIKeyYYKMGIGIIDDMFV-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.24
Rot. Bonds4

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

2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid (PubChem CID 134676666) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
PubChem CID134676666
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cc(CC(=O)O)c(N)c(C(F)F)n1
InChIInChI=1S/C9H10F2N2O3/c1-16-5-2-4(3-6(14)15)7(12)8(13-5)9(10)11/h2,9H,3,12H2,1H3,(H,14,15)
InChIKeyYYKMGIGIIDDMFV-UHFFFAOYSA-N
XLogP1.24
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-6-methoxy-3-methylpyridine-4-carboxylic acid
CID 118815170
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxylic acid
CID 118809146
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-(difluoromethyl)-3-fluoro-6-methoxypyridine-4-carboxamide
CID 118803355
2-(difluoromethyl)-4,6-dimethoxypyridine-3-carboxamide
CID 118809246
ethyl 3-(aminomethyl)-2-(difluoromethyl)-6-methoxypyridine-4-carboxylate
CID 133085086
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-(difluoromethyl)-3-iodo-6-methoxypyridine-4-carboxamide
CID 118837244
2-(difluoromethyl)-3-iodo-6-methoxypyridin-4-amine
CID 118840612
ethyl 4-bromo-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134675839
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid
CID 171922378

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid (CID 134676666) is 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid is COc1cc(CC(=O)O)c(N)c(C(F)F)n1.
What is the InChIKey of 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid?
The InChIKey is YYKMGIGIIDDMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-5-2-4(3-6(14)15)7(12)8(13-5)9(10)11/h2,9H,3,12H2,1H3,(H,14,15).
What are the key properties of 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid?
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid has a molecular weight of 232.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid is sourced from PubChem (CID 134676666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).