2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid

C9H8ClF2NO2 — CID 130074460

IUPAC2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
SMILESCc1nc(CC(=O)O)c(C(F)F)cc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-6(10)2-5(9(11)12)7(13-4)3-8(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyDYKGHQVKYVEHAE-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.61
Rot. Bonds3

About 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid

2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid (PubChem CID 130074460) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
PubChem CID130074460
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
SMILESCc1nc(CC(=O)O)c(C(F)F)cc1Cl
InChIInChI=1S/C9H8ClF2NO2/c1-4-6(10)2-5(9(11)12)7(13-4)3-8(14)15/h2,9H,3H2,1H3,(H,14,15)
InChIKeyDYKGHQVKYVEHAE-UHFFFAOYSA-N
XLogP2.61
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[5-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130095685
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid (CID 130074460) is 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid is Cc1nc(CC(=O)O)c(C(F)F)cc1Cl.
What is the InChIKey of 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid?
The InChIKey is DYKGHQVKYVEHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-6(10)2-5(9(11)12)7(13-4)3-8(14)15/h2,9H,3H2,1H3,(H,14,15).
What are the key properties of 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid?
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid has a molecular weight of 235.62 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 130074460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).