methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate

C19H16ClNO3 — CID 86677537

IUPACmethyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1OC
InChIInChI=1S/C19H16ClNO3/c1-23-18-15-6-4-3-5-14(15)13(10-16(18)19(22)24-2)9-12-7-8-17(20)21-11-12/h3-8,10-11H,9H2,1-2H3
InChIKeyCWMUQNVXMSUGEA-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.27
Rot. Bonds4

About methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate

methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate (PubChem CID 86677537) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
PubChem CID86677537
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Namemethyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1OC
InChIInChI=1S/C19H16ClNO3/c1-23-18-15-6-4-3-5-14(15)13(10-16(18)19(22)24-2)9-12-7-8-17(20)21-11-12/h3-8,10-11H,9H2,1-2H3
InChIKeyCWMUQNVXMSUGEA-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[(6-chloro-3-pyridinyl)methyl]-N-cyclohexyl-1-methoxynaphthalene-2-carboxamide
CID 88874061
4-[(6-chloro-3-pyridinyl)methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxynaphthalene-2-carboxamide;N-[(1S,2S)-2-hydroxycyclohexyl]-1-methoxy-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 161242138
4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-heptan-2-ylnaphthalene-2-carboxamide
CID 144891463
tert-butyl 6-[(6-chloro-3-pyridinyl)methyl]-4-oxidobenzo[f]quinolin-4-ium-1-carboxylate
CID 130431364
methyl 3-chloro-4-methoxy-2-(methoxymethoxy)-5-[(4-pyrazol-1-ylphenyl)methyl]benzoate
CID 118468333
ethane;methyl 2-(6-chloro-3-pyridinyl)acetate
CID 142918982
tert-butyl 6-[(6-chloro-3-pyridinyl)methyl]-4-oxobenzo[h]quinoline-1-carboxylate
CID 130441309
4-[(6-chloro-3-pyridinyl)methyl]-1-fluoro-N-(oxan-3-yl)naphthalene-2-carboxamide
CID 123348184
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
ethane;methyl 5-ethyl-3-[(4-fluorophenyl)methyl]-8-methoxyquinoline-7-carboxylate
CID 142873059
methyl 4-bromo-5-[(2-bromo-3,4-dimethoxy-5-methoxycarbonylphenyl)methyl]-2,3-dimethoxybenzoate
CID 132564114
6-[(6-chloro-3-pyridinyl)methyl]-3-[(1S,2S)-2-(methylamino)cyclohexyl]benzo[h]quinazolin-4-one
CID 46208973

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate (CID 86677537) is methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate is COC(=O)c1cc(Cc2ccc(Cl)nc2)c2ccccc2c1OC.
What is the InChIKey of methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate?
The InChIKey is CWMUQNVXMSUGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-23-18-15-6-4-3-5-14(15)13(10-16(18)19(22)24-2)9-12-7-8-17(20)21-11-12/h3-8,10-11H,9H2,1-2H3.
What are the key properties of methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate?
methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(6-chloro-3-pyridinyl)methyl]-1-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 86677537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).