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

C9H8ClF2NO2 — CID 130074442

IUPAC2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(Cl)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C9H8ClF2NO2/c1-4-2-6(10)13-5(3-7(14)15)8(4)9(11)12/h2,9H,3H2,1H3,(H,14,15)
InChIKeySTERJQNSVAQJAW-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.61
Rot. Bonds3

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

2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid (PubChem CID 130074442) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
PubChem CID130074442
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(Cl)nc(CC(=O)O)c1C(F)F
InChIInChI=1S/C9H8ClF2NO2/c1-4-2-6(10)13-5(3-7(14)15)8(4)9(11)12/h2,9H,3H2,1H3,(H,14,15)
InChIKeySTERJQNSVAQJAW-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

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
2-[2-(bromomethyl)-6-chloro-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118843847
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251
2-[2-chloro-3-(difluoromethyl)-6-methyl-4-pyridinyl]acetic acid
CID 119019019
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
2-[4,6-dibromo-3-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118818465
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
ethyl 2-[6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134686447

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid (CID 130074442) is 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid is Cc1cc(Cl)nc(CC(=O)O)c1C(F)F.
What is the InChIKey of 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
The InChIKey is STERJQNSVAQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-4-2-6(10)13-5(3-7(14)15)8(4)9(11)12/h2,9H,3H2,1H3,(H,14,15).
What are the key properties of 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid?
2-[6-chloro-3-(difluoromethyl)-4-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-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 130074442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).