methyl 8-chloronaphthalene-2-carboxylate

C12H9ClO2 — CID 90487849

IUPACmethyl 8-chloronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(Cl)c2c1
InChIInChI=1S/C12H9ClO2/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h2-7H,1H3
InChIKeyOTPUHDOCSDXTPA-UHFFFAOYSA-N
MW220.66 g/mol
LogP3.28
Rot. Bonds1

About methyl 8-chloronaphthalene-2-carboxylate

methyl 8-chloronaphthalene-2-carboxylate (PubChem CID 90487849) has the molecular formula C12H9ClO2 and a molecular weight of 220.66 g/mol. Its IUPAC name is methyl 8-chloronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-chloronaphthalene-2-carboxylate
PubChem CID90487849
Molecular FormulaC12H9ClO2
Molecular Weight220.66 g/mol
Exact Mass220.03
IUPAC Namemethyl 8-chloronaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(Cl)c2c1
InChIInChI=1S/C12H9ClO2/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h2-7H,1H3
InChIKeyOTPUHDOCSDXTPA-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 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
CID 58553621
methyl 1-(2,3-dichlorophenyl)isoquinoline-7-carboxylate
CID 67960992
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 8-(2-chlorophenyl)-7-isocyanonaphthalene-2-carboxylate
CID 88553970
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 4-(2-chlorophenyl)naphthalene-2-carboxylate
CID 11637956
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxylate
CID 58553362
methyl 6-chloronaphthalene-2-carboxylate
CID 13384252
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190

Frequently Asked Questions

What is the IUPAC name of methyl 8-chloronaphthalene-2-carboxylate?
The IUPAC name of methyl 8-chloronaphthalene-2-carboxylate (CID 90487849) is methyl 8-chloronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-chloronaphthalene-2-carboxylate?
The canonical SMILES for methyl 8-chloronaphthalene-2-carboxylate is COC(=O)c1ccc2cccc(Cl)c2c1.
What is the InChIKey of methyl 8-chloronaphthalene-2-carboxylate?
The InChIKey is OTPUHDOCSDXTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2/c1-15-12(14)9-6-5-8-3-2-4-11(13)10(8)7-9/h2-7H,1H3.
What are the key properties of methyl 8-chloronaphthalene-2-carboxylate?
methyl 8-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 8-chloronaphthalene-2-carboxylate is sourced from PubChem (CID 90487849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).