methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate

C9H8ClF2NO3 — CID 134669578

IUPACmethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(OC)c(Cl)n1
InChIInChI=1S/C9H8ClF2NO3/c1-15-6-4(8(11)12)3-5(9(14)16-2)13-7(6)10/h3,8H,1-2H3
InChIKeyHOSRSCBEWGSKEP-UHFFFAOYSA-N
MW251.62 g/mol
LogP2.47
Rot. Bonds3

About methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate

methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate (PubChem CID 134669578) has the molecular formula C9H8ClF2NO3 and a molecular weight of 251.62 g/mol. Its IUPAC name is methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
PubChem CID134669578
Molecular FormulaC9H8ClF2NO3
Molecular Weight251.62 g/mol
Exact Mass251.02
IUPAC Namemethyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(C(F)F)c(OC)c(Cl)n1
InChIInChI=1S/C9H8ClF2NO3/c1-15-6-4(8(11)12)3-5(9(14)16-2)13-7(6)10/h3,8H,1-2H3
InChIKeyHOSRSCBEWGSKEP-UHFFFAOYSA-N
XLogP2.47
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylate
CID 134669232
4-(difluoromethyl)-5,6-dimethoxypyridine-2-carboxylic acid
CID 118828805
[6-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]methanamine
CID 130073705
methyl 2-chloro-5-(difluoromethyl)-6-methylpyridine-3-carboxylate
CID 130074421
methyl 4-chloro-5-(difluoromethyl)pyridine-2-carboxylate
CID 124706094
methyl 1-chloro-7-fluoro-5-methylisoquinoline-3-carboxylate
CID 114517179
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
methyl 6-amino-4-(difluoromethyl)-5-iodopyridine-2-carboxylate
CID 130105555
methyl 2-chloro-5-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134678273
methyl 6-(difluoromethyl)-5-methoxy-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133099003
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
methyl 6-cyano-4-(difluoromethyl)-3-methoxypyridine-2-carboxylate
CID 134671057

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The IUPAC name of methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate (CID 134669578) is methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate.
What is the SMILES notation for methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The canonical SMILES for methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate is COC(=O)c1cc(C(F)F)c(OC)c(Cl)n1.
What is the InChIKey of methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
The InChIKey is HOSRSCBEWGSKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3/c1-15-6-4(8(11)12)3-5(9(14)16-2)13-7(6)10/h3,8H,1-2H3.
What are the key properties of methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate?
methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate has a molecular weight of 251.62 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-4-(difluoromethyl)-5-methoxypyridine-2-carboxylate is sourced from PubChem (CID 134669578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).