methyl 4-chloro-6-fluoronaphthalene-2-carboxylate

C12H8ClFO2 — CID 90487890

IUPACmethyl 4-chloro-6-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(F)ccc2c1
InChIInChI=1S/C12H8ClFO2/c1-16-12(15)8-4-7-2-3-9(14)6-10(7)11(13)5-8/h2-6H,1H3
InChIKeyYEQXUNFARQJXIM-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.42
Rot. Bonds1

About methyl 4-chloro-6-fluoronaphthalene-2-carboxylate

methyl 4-chloro-6-fluoronaphthalene-2-carboxylate (PubChem CID 90487890) has the molecular formula C12H8ClFO2 and a molecular weight of 238.64 g/mol. Its IUPAC name is methyl 4-chloro-6-fluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-fluoronaphthalene-2-carboxylate
PubChem CID90487890
Molecular FormulaC12H8ClFO2
Molecular Weight238.64 g/mol
Exact Mass238.02
IUPAC Namemethyl 4-chloro-6-fluoronaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(Cl)c2cc(F)ccc2c1
InChIInChI=1S/C12H8ClFO2/c1-16-12(15)8-4-7-2-3-9(14)6-10(7)11(13)5-8/h2-6H,1H3
InChIKeyYEQXUNFARQJXIM-UHFFFAOYSA-N
XLogP3.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-chloro-6-fluoronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 4-(2-chloro-4-fluorobenzoyl)benzoate
CID 175059139
methyl 3,5-difluorobenzoate
CID 2775360
methyl 4-chloro-7,8-dimethylnaphthalene-2-carboxylate
CID 90487780
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482
methyl 2-(4-chlorophenyl)-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 44722916
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
CID 170307924
CID 170307924
ethane;methyl 2-chloro-6-(4-fluorophenyl)pyridine-4-carboxylate
CID 144796191
methyl 7-fluoroisoquinoline-1-carboxylate
CID 82572059

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-fluoronaphthalene-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-fluoronaphthalene-2-carboxylate (CID 90487890) is methyl 4-chloro-6-fluoronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-fluoronaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-fluoronaphthalene-2-carboxylate is COC(=O)c1cc(Cl)c2cc(F)ccc2c1.
What is the InChIKey of methyl 4-chloro-6-fluoronaphthalene-2-carboxylate?
The InChIKey is YEQXUNFARQJXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c1-16-12(15)8-4-7-2-3-9(14)6-10(7)11(13)5-8/h2-6H,1H3.
What are the key properties of methyl 4-chloro-6-fluoronaphthalene-2-carboxylate?
methyl 4-chloro-6-fluoronaphthalene-2-carboxylate has a molecular weight of 238.64 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-fluoronaphthalene-2-carboxylate is sourced from PubChem (CID 90487890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).