(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate

C14H12ClNO4 — CID 31916473

IUPAC(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccc(Cl)nc2)c1O
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-3-10(13(11)17)14(18)20-8-9-5-6-12(15)16-7-9/h2-7,17H,8H2,1H3
InChIKeyUJWPJTQVUFQNOI-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.81
Rot. Bonds4

About (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate

(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate (PubChem CID 31916473) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
PubChem CID31916473
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCc2ccc(Cl)nc2)c1O
InChIInChI=1S/C14H12ClNO4/c1-19-11-4-2-3-10(13(11)17)14(18)20-8-9-5-6-12(15)16-7-9/h2-7,17H,8H2,1H3
InChIKeyUJWPJTQVUFQNOI-UHFFFAOYSA-N
XLogP2.81
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523
(6-chloro-3-pyridinyl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30601058
(6-chloro-3-pyridinyl)methyl 3-(2,3-dimethoxyphenyl)propanoate
CID 55546324
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18075732
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
(6-chloro-3-pyridinyl)methyl 6-methoxynaphthalene-2-carboxylate
CID 32810227
(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 18281089
2-chloro-5-[(4-ethyl-2-methoxyphenoxy)methyl]pyridine
CID 103866434
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075718
[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-hydroxy-3-methoxybenzoate
CID 18199087
(7-chloro-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-3-methoxybenzoate
CID 18203381

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate (CID 31916473) is (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate is COc1cccc(C(=O)OCc2ccc(Cl)nc2)c1O.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate?
The InChIKey is UJWPJTQVUFQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-11-4-2-3-10(13(11)17)14(18)20-8-9-5-6-12(15)16-7-9/h2-7,17H,8H2,1H3.
What are the key properties of (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate?
(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate has a molecular weight of 293.71 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 31916473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).