methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate

C9H8ClF2NO3 — CID 134674417

IUPACmethyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(OC)cnc(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO3/c1-15-4-3-13-7(8(11)12)6(10)5(4)9(14)16-2/h3,8H,1-2H3
InChIKeyIADMSZZUHZMAEB-UHFFFAOYSA-N
MW251.62 g/mol
LogP2.47
Rot. Bonds3

About methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate

methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate (PubChem CID 134674417) has the molecular formula C9H8ClF2NO3 and a molecular weight of 251.62 g/mol. Its IUPAC name is methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
PubChem CID134674417
Molecular FormulaC9H8ClF2NO3
Molecular Weight251.62 g/mol
Exact Mass251.02
IUPAC Namemethyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
SMILESCOC(=O)c1c(OC)cnc(C(F)F)c1Cl
InChIInChI=1S/C9H8ClF2NO3/c1-15-4-3-13-7(8(11)12)6(10)5(4)9(14)16-2/h3,8H,1-2H3
InChIKeyIADMSZZUHZMAEB-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

ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 134684705
methyl 4-(difluoromethyl)-2,5-dimethoxypyridine-3-carboxylate
CID 134684678
methyl 4-chloro-2-(difluoromethyl)-5-nitropyridine-3-carboxylate
CID 134674210
2-(difluoromethyl)-3,5-dimethoxypyridine-4-carboxamide
CID 118837482
methyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105622
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244
methyl 2-(difluoromethyl)-5-fluoro-3-methylpyridine-4-carboxylate
CID 133105275
2-(difluoromethyl)-4,5-dimethoxypyridine-3-carboxylic acid
CID 130100978
5-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130095452
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carboxamide
CID 118809416
methyl 2-(difluoromethyl)-4-fluoro-5-iodopyridine-3-carboxylate
CID 130080286
4-chloro-2-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)pyridine
CID 118822429

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate?
The IUPAC name of methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate (CID 134674417) is methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate.
What is the SMILES notation for methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate?
The canonical SMILES for methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate is COC(=O)c1c(OC)cnc(C(F)F)c1Cl.
What is the InChIKey of methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate?
The InChIKey is IADMSZZUHZMAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3/c1-15-4-3-13-7(8(11)12)6(10)5(4)9(14)16-2/h3,8H,1-2H3.
What are the key properties of methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate?
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-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 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate is sourced from PubChem (CID 134674417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).