methyl 6-chloronaphthalene-2-carboxylate

C12H9ClO2 — CID 13384252

IUPACmethyl 6-chloronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C12H9ClO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKeyFYEHTBMLYNKRSY-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.28
Rot. Bonds1

About methyl 6-chloronaphthalene-2-carboxylate

methyl 6-chloronaphthalene-2-carboxylate (PubChem CID 13384252) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is methyl 6-chloronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloronaphthalene-2-carboxylate
PubChem CID13384252
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Namemethyl 6-chloronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cc(Cl)ccc2c1
InChIInChI=1S/C12H9ClO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3
InChIKeyFYEHTBMLYNKRSY-UHFFFAOYSA-N
XLogP3.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7-chlorophenazine-2-carboxylate
CID 154715967
6-methoxycarbonylnaphthalene-2-carboxylate
CID 3934911
ethane;methyl naphthalene-2-carboxylate
CID 143895262
potassium 6-methoxycarbonylnaphthalene-2-carboxylate
CID 146050692
methyl 3-chloro-1-hydroxyquinolin-1-ium-6-carboxylate
CID 126501545
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
methyl 6-cyclopropylnaphthalene-2-carboxylate
CID 54752886
methyl 2-chloro-1H-indole-5-carboxylate
CID 139461467
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloronaphthalene-2-carboxylate?
The IUPAC name of methyl 6-chloronaphthalene-2-carboxylate (CID 13384252) is methyl 6-chloronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-chloronaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-chloronaphthalene-2-carboxylate is COC(=O)c1ccc2cc(Cl)ccc2c1.
What is the InChIKey of methyl 6-chloronaphthalene-2-carboxylate?
The InChIKey is FYEHTBMLYNKRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-15-12(14)10-3-2-9-7-11(13)5-4-8(9)6-10/h2-7H,1H3.
What are the key properties of methyl 6-chloronaphthalene-2-carboxylate?
methyl 6-chloronaphthalene-2-carboxylate has a molecular weight of 220.66 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloronaphthalene-2-carboxylate is sourced from PubChem (CID 13384252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).