methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

C9H7ClF3NO2 — CID 169249189

IUPACmethyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-4-3-5(8(15)16-2)7(10)14-6(4)9(11,12)13/h3H,1-2H3
InChIKeyQNRDERWAWYGWQF-UHFFFAOYSA-N
MW253.61 g/mol
LogP2.85
Rot. Bonds1

About methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate

methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 169249189) has the molecular formula C9H7ClF3NO2 and a molecular weight of 253.61 g/mol. Its IUPAC name is methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID169249189
Molecular FormulaC9H7ClF3NO2
Molecular Weight253.61 g/mol
Exact Mass253.01
IUPAC Namemethyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(C)c(C(F)(F)F)nc1Cl
InChIInChI=1S/C9H7ClF3NO2/c1-4-3-5(8(15)16-2)7(10)14-6(4)9(11,12)13/h3H,1-2H3
InChIKeyQNRDERWAWYGWQF-UHFFFAOYSA-N
XLogP2.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273
methyl 2,6-dichloro-5-methylpyridine-3-carboxylate
CID 14364375
methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
CID 46311111
methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
methyl 2-chloro-8-(trifluoromethyl)quinoline-3-carboxylate
CID 117246678
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 2-chloro-5-fluoro-6-(3-fluoro-4-methylphenyl)pyridine-3-carboxylate
CID 59585041
methyl 2-chloro-5-[4-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 87395859
methyl 6-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134635581
methyl 2-chloro-6,7-diethoxyquinoline-3-carboxylate
CID 119054850
methyl 2-chloro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171029052
methyl 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 14280199

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate (CID 169249189) is methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1cc(C)c(C(F)(F)F)nc1Cl.
What is the InChIKey of methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is QNRDERWAWYGWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO2/c1-4-3-5(8(15)16-2)7(10)14-6(4)9(11,12)13/h3H,1-2H3.
What are the key properties of methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate?
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 253.61 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 169249189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).