methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate

C17H12ClNO2 — CID 58553621

IUPACmethyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3ncccc3Cl)c2c1
InChIInChI=1S/C17H12ClNO2/c1-21-17(20)12-8-7-11-4-2-5-13(14(11)10-12)16-15(18)6-3-9-19-16/h2-10H,1H3
InChIKeyUMWBCTAXQFHKEK-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.34
Rot. Bonds2

About methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate

methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate (PubChem CID 58553621) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
PubChem CID58553621
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Namemethyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2cccc(-c3ncccc3Cl)c2c1
InChIInChI=1S/C17H12ClNO2/c1-21-17(20)12-8-7-11-4-2-5-13(14(11)10-12)16-15(18)6-3-9-19-16/h2-10H,1H3
InChIKeyUMWBCTAXQFHKEK-UHFFFAOYSA-N
XLogP4.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 8-(3-chloro-2-pyridinyl)naphthalene-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 1-(2,3-dichlorophenyl)isoquinoline-7-carboxylate
CID 67960992
methyl 8-chloronaphthalene-2-carboxylate
CID 90487849
methyl 8-(3-chloro-2-fluorophenyl)naphthalene-2-carboxylate
CID 58553414
methyl 8-(5-chloro-2-fluoro-3-pyridinyl)naphthalene-2-carboxylate
CID 58553365
methyl 8-(6-methoxy-3-pyridinyl)naphthalene-2-carboxylate
CID 58553628
3-chloro-5-fluoro-2-[7-(1-methoxyethenyl)naphthalen-1-yl]pyridine
CID 70227842
methyl 3-quinolin-8-ylbenzoate
CID 4189037
methyl 8-(2-fluoro-3-methoxyphenyl)naphthalene-2-carboxylate
CID 58553524
methyl 8-fluoronaphthalene-2-carboxylate
CID 133084151
methyl 8-(3,6-difluoro-2-methylphenyl)naphthalene-2-carboxylate
CID 58553228
4-(3-chloro-2-pyridinyl)-3-methoxy-N-naphthalen-2-ylbenzamide
CID 59673439
methyl 8-(3-cyano-2-fluorophenyl)naphthalene-2-carboxylate
CID 70227715

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate?
The IUPAC name of methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate (CID 58553621) is methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate.
What is the SMILES notation for methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate?
The canonical SMILES for methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate is COC(=O)c1ccc2cccc(-c3ncccc3Cl)c2c1.
What is the InChIKey of methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate?
The InChIKey is UMWBCTAXQFHKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c1-21-17(20)12-8-7-11-4-2-5-13(14(11)10-12)16-15(18)6-3-9-19-16/h2-10H,1H3.
What are the key properties of methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate?
methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate has a molecular weight of 297.74 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-chloro-2-pyridinyl)naphthalene-2-carboxylate is sourced from PubChem (CID 58553621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).