fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate

C15H14ClFN2O4 — CID 142553980

IUPACfluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate
SMILESCOc1cc(CCn2ccc(=O)c(C(=O)OF)c2)c(C)nc1Cl
InChIInChI=1S/C15H14ClFN2O4/c1-9-10(7-13(22-2)14(16)18-9)3-5-19-6-4-12(20)11(8-19)15(21)23-17/h4,6-8H,3,5H2,1-2H3
InChIKeyGRFNAZWWMWIQGB-UHFFFAOYSA-N
MW340.74 g/mol
LogP2.50
Rot. Bonds5

About fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate

fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate (PubChem CID 142553980) has the molecular formula C15H14ClFN2O4 and a molecular weight of 340.74 g/mol. Its IUPAC name is fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namefluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate
PubChem CID142553980
Molecular FormulaC15H14ClFN2O4
Molecular Weight340.74 g/mol
Exact Mass340.06
IUPAC Namefluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate
SMILESCOc1cc(CCn2ccc(=O)c(C(=O)OF)c2)c(C)nc1Cl
InChIInChI=1S/C15H14ClFN2O4/c1-9-10(7-13(22-2)14(16)18-9)3-5-19-6-4-12(20)11(8-19)15(21)23-17/h4,6-8H,3,5H2,1-2H3
InChIKeyGRFNAZWWMWIQGB-UHFFFAOYSA-N
XLogP2.50
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

methyl 2-chloro-5-ethyl-6-methylpyridine-3-carboxylate
CID 15228412
(1,3-dimethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 102802743
methyl 5-[2-(2-methoxyphenyl)ethyl]-2-(3-methylphenyl)-3-oxopyrazolo[4,3-c]pyridine-7-carboxylate
CID 66495974
(2-methoxy-5-methylphenyl)methyl 3,4,5,6-tetrachloropyridine-2-carboxylate
CID 7628172
methyl N-[3-(3-methoxy-4-oxo-1-pyridinyl)propyl]butanimidate
CID 70827000
(6-chloro-5-methoxy-3-methyl-2-pyridinyl)methanamine
CID 130691517
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
ethyl 3-(bromomethyl)-1-[2-(2,4-dimethoxyphenyl)ethyl]-2-oxopyridine-4-carboxylate
CID 174713299
methyl 2-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 119054849
ethyl 7-chloro-6-fluoro-4-oxo-1,8-naphthyridine-1-carboxylate
CID 57282029

Frequently Asked Questions

What is the IUPAC name of fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate?
The IUPAC name of fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate (CID 142553980) is fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate.
What is the SMILES notation for fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate?
The canonical SMILES for fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate is COc1cc(CCn2ccc(=O)c(C(=O)OF)c2)c(C)nc1Cl.
What is the InChIKey of fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate?
The InChIKey is GRFNAZWWMWIQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O4/c1-9-10(7-13(22-2)14(16)18-9)3-5-19-6-4-12(20)11(8-19)15(21)23-17/h4,6-8H,3,5H2,1-2H3.
What are the key properties of fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate?
fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate has a molecular weight of 340.74 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 1-[2-(6-chloro-5-methoxy-2-methyl-3-pyridinyl)ethyl]-4-oxopyridine-3-carboxylate is sourced from PubChem (CID 142553980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).