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

C15H13ClFNO2 — CID 115917522

IUPACethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C15H13ClFNO2/c1-3-20-15(19)11-6-7-14(18-9(11)2)12-5-4-10(17)8-13(12)16/h4-8H,3H2,1-2H3
InChIKeyIDAOYMKAXMKHJX-UHFFFAOYSA-N
MW293.73 g/mol
LogP4.03
Rot. Bonds3

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

ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate (PubChem CID 115917522) has the molecular formula C15H13ClFNO2 and a molecular weight of 293.73 g/mol. Its IUPAC name is ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
PubChem CID115917522
Molecular FormulaC15H13ClFNO2
Molecular Weight293.73 g/mol
Exact Mass293.06
IUPAC Nameethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2ccc(F)cc2Cl)nc1C
InChIInChI=1S/C15H13ClFNO2/c1-3-20-15(19)11-6-7-14(18-9(11)2)12-5-4-10(17)8-13(12)16/h4-8H,3H2,1-2H3
InChIKeyIDAOYMKAXMKHJX-UHFFFAOYSA-N
XLogP4.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.73
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2-chloro-4-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 102972448
ethyl 2-(3,4-dichlorophenyl)-5-fluorobenzoate
CID 134623240
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(2,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917530
ethyl 5-(2-chloro-4-fluorophenyl)-2H-triazole-4-carboxylate
CID 169399029
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
ethyl 2-(2,3-dichlorophenyl)-5-fluorobenzoate
CID 118809533
ethyl 6-(3,5-dimethylphenyl)-2-methylpyridine-3-carboxylate
CID 115917484
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436
ethyl 2-(2-chloro-4-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371412
ethyl 2-chloro-7-fluoroquinoline-4-carboxylate
CID 170330637
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate (CID 115917522) is ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(-c2ccc(F)cc2Cl)nc1C.
What is the InChIKey of ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate?
The InChIKey is IDAOYMKAXMKHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNO2/c1-3-20-15(19)11-6-7-14(18-9(11)2)12-5-4-10(17)8-13(12)16/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate?
ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate has a molecular weight of 293.73 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2-chloro-4-fluorophenyl)-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 115917522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).