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

C9H9F2NO3 — CID 118800669

IUPAC2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)cn1
InChIInChI=1S/C9H9F2NO3/c1-15-7-3-6(9(10)11)5(4-12-7)2-8(13)14/h3-4,9H,2H2,1H3,(H,13,14)
InChIKeyGASBYQGHCIJQOU-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.65
Rot. Bonds4

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

2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid (PubChem CID 118800669) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
PubChem CID118800669
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Name2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)cn1
InChIInChI=1S/C9H9F2NO3/c1-15-7-3-6(9(10)11)5(4-12-7)2-8(13)14/h3-4,9H,2H2,1H3,(H,13,14)
InChIKeyGASBYQGHCIJQOU-UHFFFAOYSA-N
XLogP1.65
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
2-[6-cyano-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118998082
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
CID 130560472
methyl 2-[4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 171029463
methyl 2-[6-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088361
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid (CID 118800669) is 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid is COc1cc(C(F)F)c(CC(=O)O)cn1.
What is the InChIKey of 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid?
The InChIKey is GASBYQGHCIJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-15-7-3-6(9(10)11)5(4-12-7)2-8(13)14/h3-4,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid has a molecular weight of 217.17 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 118800669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).