(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate

C18H14ClNO3 — CID 32810227

IUPAC(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3ccc(Cl)nc3)ccc2c1
InChIInChI=1S/C18H14ClNO3/c1-22-16-6-5-13-8-15(4-3-14(13)9-16)18(21)23-11-12-2-7-17(19)20-10-12/h2-10H,11H2,1H3
InChIKeyKIDWVVSPFGUOCJ-UHFFFAOYSA-N
MW327.77 g/mol
LogP4.25
Rot. Bonds4

About (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate

(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate (PubChem CID 32810227) has the molecular formula C18H14ClNO3 and a molecular weight of 327.77 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
PubChem CID32810227
Molecular FormulaC18H14ClNO3
Molecular Weight327.77 g/mol
Exact Mass327.07
IUPAC Name(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OCc3ccc(Cl)nc3)ccc2c1
InChIInChI=1S/C18H14ClNO3/c1-22-16-6-5-13-8-15(4-3-14(13)9-16)18(21)23-11-12-2-7-17(19)20-10-12/h2-10H,11H2,1H3
InChIKeyKIDWVVSPFGUOCJ-UHFFFAOYSA-N
XLogP4.25
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.25
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

(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
(6-chloro-3-pyridinyl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30601058
(6-chloro-3-pyridinyl)methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 31048298
(4-methoxyphenyl)methyl 2,5-dichloropyridine-4-carboxylate
CID 114929193
(6-chloro-3-pyridinyl)methyl 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 34133472
(6-chloro-3-pyridinyl)methyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 31047981
1-(6-chloro-3-pyridinyl)-2-(4-methoxyphenoxy)ethanone
CID 57391481
(6-methoxynaphthalen-2-yl)methyl 6-methylpyrimidine-4-carboxylate
CID 146084300
(6-chloro-3-pyridinyl)methyl 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 55535082
(4-methoxyphenyl)methyl 3-bromo-4-[(4-methoxyphenyl)methoxy]benzoate
CID 142526842
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate
CID 8017406

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate (CID 32810227) is (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate is COc1ccc2cc(C(=O)OCc3ccc(Cl)nc3)ccc2c1.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate?
The InChIKey is KIDWVVSPFGUOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO3/c1-22-16-6-5-13-8-15(4-3-14(13)9-16)18(21)23-11-12-2-7-17(19)20-10-12/h2-10H,11H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate?
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate has a molecular weight of 327.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 32810227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).