methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate

C17H12ClFN2O2 — CID 118665111

IUPACmethyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C17H12ClFN2O2/c1-23-17(22)11-2-3-20-14(8-11)5-10-4-12-7-13(18)9-21-16(12)15(19)6-10/h2-4,6-9H,5H2,1H3
InChIKeyKOVZEGYFDKNTPM-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.80
Rot. Bonds3

About methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate

methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate (PubChem CID 118665111) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
PubChem CID118665111
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Namemethyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1
InChIInChI=1S/C17H12ClFN2O2/c1-23-17(22)11-2-3-20-14(8-11)5-10-4-12-7-13(18)9-21-16(12)15(19)6-10/h2-4,6-9H,5H2,1H3
InChIKeyKOVZEGYFDKNTPM-UHFFFAOYSA-N
XLogP3.80
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;methyl 2-[(3-chloro-8-cyanoquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 3-chloro-6-[(4-methoxycarbonyl-2-pyridinyl)methyl]quinoline-8-carboxylate
CID 159488290
ethane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate
CID 145002118
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(3,5-difluorophenyl)methyl]pyridine-4-carboxylate
CID 160814992
methane;methyl 3-chloro-8-fluoroquinoline-6-carboxylate;methyl 8-fluoroquinoline-6-carboxylate
CID 157232582
5-[[1-[2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]-4-pyridinyl]ethenylamino]methyl]-6-methylpyridin-2-amine
CID 118669054
5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide;2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylic acid;methane
CID 160509135
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2-fluorophenyl)methyl]pyridine-4-carboxylate
CID 159589260
methyl 2-[(3,5-ditert-butylphenyl)methyl]pyridine-4-carboxylate
CID 66731958
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2,6-difluorophenyl)methyl]pyridine-4-carboxylate
CID 158047939
methyl 2-chloropyridine-4-carboxylate;methyl 2-[(2,4-difluorophenyl)methyl]pyridine-4-carboxylate
CID 162229810
methyl 2-[(6-methylsulfanylquinolin-3-yl)methyl]pyridine-4-carboxylate
CID 145002059
6-(chloromethyl)-3-methylquinoline-8-carbonitrile;methyl 2-[(8-cyano-3-methylquinolin-6-yl)methyl]pyridine-4-carboxylate;methyl 2-methylpyridine-4-carboxylate
CID 159399810

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate (CID 118665111) is methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate is COC(=O)c1ccnc(Cc2cc(F)c3ncc(Cl)cc3c2)c1.
What is the InChIKey of methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate?
The InChIKey is KOVZEGYFDKNTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-23-17(22)11-2-3-20-14(8-11)5-10-4-12-7-13(18)9-21-16(12)15(19)6-10/h2-4,6-9H,5H2,1H3.
What are the key properties of methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate?
methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate has a molecular weight of 330.75 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-8-fluoroquinolin-6-yl)methyl]pyridine-4-carboxylate is sourced from PubChem (CID 118665111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).