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

C9H8F3NO2 — CID 118846525

IUPAC2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(F)c(CC(=O)O)n1
InChIInChI=1S/C9H8F3NO2/c1-4-2-5(9(11)12)8(10)6(13-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyBUMGPYUXBJNDNP-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.09
Rot. Bonds3

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

2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid (PubChem CID 118846525) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
PubChem CID118846525
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(F)c(CC(=O)O)n1
InChIInChI=1S/C9H8F3NO2/c1-4-2-5(9(11)12)8(10)6(13-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyBUMGPYUXBJNDNP-UHFFFAOYSA-N
XLogP2.09
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
2-[4-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118824053
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 118836900
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
methyl 2-[6-amino-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetate
CID 134675998
methyl 2-[3-bromo-4-(difluoromethyl)-6-methyl-2-pyridinyl]acetate
CID 134675923
2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid (CID 118846525) is 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid is Cc1cc(C(F)F)c(F)c(CC(=O)O)n1.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid?
The InChIKey is BUMGPYUXBJNDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c1-4-2-5(9(11)12)8(10)6(13-4)3-7(14)15/h2,9H,3H2,1H3,(H,14,15).
What are the key properties of 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid?
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid has a molecular weight of 219.16 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 118846525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).