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

C10H10ClF2NO3 — CID 134684705

IUPACethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(OC)c1Cl
InChIInChI=1S/C10H10ClF2NO3/c1-3-17-10(15)6-7(11)5(16-2)4-14-8(6)9(12)13/h4,9H,3H2,1-2H3
InChIKeyRNFVEHTVYSQGEF-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.86
Rot. Bonds4

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

ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate (PubChem CID 134684705) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
PubChem CID134684705
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Nameethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)ncc(OC)c1Cl
InChIInChI=1S/C10H10ClF2NO3/c1-3-17-10(15)6-7(11)5(16-2)4-14-8(6)9(12)13/h4,9H,3H2,1-2H3
InChIKeyRNFVEHTVYSQGEF-UHFFFAOYSA-N
XLogP2.86
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(difluoromethyl)-4-iodo-5-methoxypyridine-3-carboxylate
CID 133101504
ethyl 5-amino-4-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134673659
ethyl 4-chloro-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 134672013
ethyl 4-chloro-2-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134675027
ethyl 2-(difluoromethyl)-4-methoxy-5-methylpyridine-3-carboxylate
CID 133100499
ethyl 2-(difluoromethyl)-5-fluoro-3-methoxypyridine-4-carboxylate
CID 133105363
ethyl 3-bromo-5-chloro-2-(difluoromethyl)pyridine-4-carboxylate
CID 134668722
methyl 3-chloro-2-(difluoromethyl)-5-methoxypyridine-4-carboxylate
CID 134674417
ethyl 4-(aminomethyl)-2-(difluoromethyl)-5-fluoropyridine-3-carboxylate
CID 133104245
ethyl 4-chloro-5-(difluoromethyl)-2-methoxypyridine-3-carboxylate
CID 134674054
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carboxamide
CID 118809416
2-(difluoromethyl)-5-methoxy-4-methylpyridine-3-carbonyl chloride
CID 118832244

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate (CID 134684705) is ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)ncc(OC)c1Cl.
What is the InChIKey of ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
The InChIKey is RNFVEHTVYSQGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-3-17-10(15)6-7(11)5(16-2)4-14-8(6)9(12)13/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate?
ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate has a molecular weight of 265.64 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(difluoromethyl)-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 134684705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).