methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

C9H8ClF2NO3 — CID 134674426

IUPACmethyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(OC)nc1C(F)F
InChIInChI=1S/C9H8ClF2NO3/c1-15-8-5(10)3-4(9(14)16-2)6(13-8)7(11)12/h3,7H,1-2H3
InChIKeyDFLFRXIJSNUBSS-UHFFFAOYSA-N
MW251.62 g/mol
LogP2.47
Rot. Bonds3

About methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate

methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (PubChem CID 134674426) has the molecular formula C9H8ClF2NO3 and a molecular weight of 251.62 g/mol. Its IUPAC name is methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
PubChem CID134674426
Molecular FormulaC9H8ClF2NO3
Molecular Weight251.62 g/mol
Exact Mass251.02
IUPAC Namemethyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(OC)nc1C(F)F
InChIInChI=1S/C9H8ClF2NO3/c1-15-8-5(10)3-4(9(14)16-2)6(13-8)7(11)12/h3,7H,1-2H3
InChIKeyDFLFRXIJSNUBSS-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

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Related Compounds

methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 6-(bromomethyl)-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130075354
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134683021
methyl 6-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130095660
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
methyl 6-(chloromethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 130082356
methyl 5-bromo-2-(difluoromethyl)-6-iodopyridine-3-carboxylate
CID 134675061
methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 5-amino-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134683234
methyl 6-(bromomethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130084949

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate (CID 134674426) is methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is COC(=O)c1cc(Cl)c(OC)nc1C(F)F.
What is the InChIKey of methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
The InChIKey is DFLFRXIJSNUBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3/c1-15-8-5(10)3-4(9(14)16-2)6(13-8)7(11)12/h3,7H,1-2H3.
What are the key properties of methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate?
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-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 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134674426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).