ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate

C10H10ClF2NO2 — CID 134684738

IUPACethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(C)nc1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-6(9(12)13)4-5(2)14-8(7)11/h4,9H,3H2,1-2H3
InChIKeyVNGDPKKEUQXZGV-UHFFFAOYSA-N
MW249.64 g/mol
LogP3.16
Rot. Bonds3

About ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate

ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate (PubChem CID 134684738) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
PubChem CID134684738
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Nameethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1c(C(F)F)cc(C)nc1Cl
InChIInChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-6(9(12)13)4-5(2)14-8(7)11/h4,9H,3H2,1-2H3
InChIKeyVNGDPKKEUQXZGV-UHFFFAOYSA-N
XLogP3.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 53.16
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

ethyl 2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carboxylate
CID 134673829
2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylic acid
CID 118996276
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976
ethyl 2-amino-6-(chloromethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134675365
ethyl 4-(difluoromethyl)-6-iodo-2-methylpyridine-3-carboxylate
CID 133101387
ethyl 2-(chloromethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104291
ethyl 4-(difluoromethyl)-2-iodo-6-methoxypyridine-3-carboxylate
CID 133102053
ethyl 6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylate
CID 134684758
ethyl 6-chloro-2-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylate
CID 134674225
ethyl 2-amino-6-(bromomethyl)-4-(difluoromethyl)pyridine-3-carboxylate
CID 134677189
ethyl 2-(bromomethyl)-4-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 133104522
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate (CID 134684738) is ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate is CCOC(=O)c1c(C(F)F)cc(C)nc1Cl.
What is the InChIKey of ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate?
The InChIKey is VNGDPKKEUQXZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-3-16-10(15)7-6(9(12)13)4-5(2)14-8(7)11/h4,9H,3H2,1-2H3.
What are the key properties of ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate?
ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate has a molecular weight of 249.64 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(difluoromethyl)-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 134684738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).