2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid

C8H7F2NO3 — CID 130560472

IUPAC2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
SMILESCOc1cc(C(F)C(=O)O)c(F)cn1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(5(9)3-11-6)7(10)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyTXNCWIFAERFTJI-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.32
Rot. Bonds3

About 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid

2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid (PubChem CID 130560472) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
PubChem CID130560472
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid
SMILESCOc1cc(C(F)C(=O)O)c(F)cn1
InChIInChI=1S/C8H7F2NO3/c1-14-6-2-4(5(9)3-11-6)7(10)8(12)13/h2-3,7H,1H3,(H,12,13)
InChIKeyTXNCWIFAERFTJI-UHFFFAOYSA-N
XLogP1.32
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-methoxy-4-pyridinyl)-2-methylpropan-1-amine
CID 126981891
4-(difluoromethyl)-6-methoxypyridine-3-carboxylic acid
CID 130097491
2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
CID 171632811
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
2-(4,6-dimethoxy-3-pyridinyl)propanoic acid
CID 84781510
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
methyl 5-(difluoromethyl)-2-methoxypyridine-4-carboxylate
CID 170909839
cyclopropyl-(5-fluoro-2-methoxy-4-pyridinyl)methanol;cyclopropyl-(5-fluoro-2-methoxy-4-pyridinyl)methanone
CID 158998457
CID 172866092
CID 172866092
4-chloro-5-(difluoromethyl)-2-methoxypyridine
CID 118822541
(1S)-1-(6-methoxy-4-methyl-3-pyridinyl)ethanol
CID 124501692
5-(2-fluorophenyl)-2-methoxypyridine-4-carboxylic acid
CID 46314072

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid?
The IUPAC name of 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid (CID 130560472) is 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid?
The canonical SMILES for 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid is COc1cc(C(F)C(=O)O)c(F)cn1.
What is the InChIKey of 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid?
The InChIKey is TXNCWIFAERFTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-14-6-2-4(5(9)3-11-6)7(10)8(12)13/h2-3,7H,1H3,(H,12,13).
What are the key properties of 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid?
2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid has a molecular weight of 203.14 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(5-fluoro-2-methoxy-4-pyridinyl)acetic acid is sourced from PubChem (CID 130560472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).