2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid

C9H8F3NO3 — CID 133105324

IUPAC2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cnc(F)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-16-5-3-13-9(12)7(8(10)11)4(5)2-6(14)15/h3,8H,2H2,1H3,(H,14,15)
InChIKeyRCQDAMYPJHRIMP-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.79
Rot. Bonds4

About 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid

2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid (PubChem CID 133105324) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
PubChem CID133105324
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid
SMILESCOc1cnc(F)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-16-5-3-13-9(12)7(8(10)11)4(5)2-6(14)15/h3,8H,2H2,1H3,(H,14,15)
InChIKeyRCQDAMYPJHRIMP-UHFFFAOYSA-N
XLogP1.79
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetate
CID 133105260
2-[3-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133099443
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
2-[5-(difluoromethyl)-6-fluoro-4-methoxy-3-pyridinyl]acetic acid
CID 133105323
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
2-[2-(difluoromethyl)-5-methoxy-3-nitro-4-pyridinyl]acetic acid
CID 133099309
2-[4-cyano-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 118799601
2-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
2-[4-(difluoromethyl)-6-fluoro-5-iodo-3-pyridinyl]acetic acid
CID 130080364
methyl 2-[5-(difluoromethyl)-4,6-difluoro-3-pyridinyl]acetate
CID 134661750

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid (CID 133105324) is 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid is COc1cnc(F)c(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid?
The InChIKey is RCQDAMYPJHRIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-16-5-3-13-9(12)7(8(10)11)4(5)2-6(14)15/h3,8H,2H2,1H3,(H,14,15).
What are the key properties of 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid?
2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]acetic acid is sourced from PubChem (CID 133105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).