(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride

C14H12ClNO4 — CID 171109487

IUPAC(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccccc1OC(=O)c1cccnc1.Cl
InChIInChI=1S/C14H11NO4.ClH/c1-18-14(17)11-6-2-3-7-12(11)19-13(16)10-5-4-8-15-9-10;/h2-9H,1H3;1H
InChIKeyWAMIDVAXCQAFSR-UHFFFAOYSA-N
MW293.71 g/mol
LogP2.51
Rot. Bonds3

About (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride

(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride (PubChem CID 171109487) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
PubChem CID171109487
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccccc1OC(=O)c1cccnc1.Cl
InChIInChI=1S/C14H11NO4.ClH/c1-18-14(17)11-6-2-3-7-12(11)19-13(16)10-5-4-8-15-9-10;/h2-9H,1H3;1H
InChIKeyWAMIDVAXCQAFSR-UHFFFAOYSA-N
XLogP2.51
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
[2-(2-methylpropoxycarbonyl)phenyl] pyridine-3-carboxylate
CID 2895243
(111C)methyl pyridine-3-carboxylate
CID 11309537
[2-[2-(3-hydroxyoxiran-2-yl)phenoxy]carbonylphenyl] pyridine-3-carboxylate
CID 123912051
(2-hex-3-enoxycarbonylphenyl) pyridine-3-carboxylate
CID 2895573
CID 22254315
CID 22254315
bis(2-methoxycarbonylphenyl) naphthalene-2,6-dicarboxylate
CID 139985709
(2-methoxyphenyl)-pyridin-3-ylmethanone
CID 18357321
bis(2-methoxycarbonylphenyl) naphthalene-2,7-dicarboxylate
CID 139985700
methyl 2-(4-aminobenzoyl)oxybenzoate
CID 3031786
[5-(2-acetyloxybenzoyl)oxy-3-[2-(2-acetyloxybenzoyl)oxyethyl]pentyl] pyridine-3-carboxylate
CID 44622730
methyl 2-[4-(bromomethyl)benzoyl]oxybenzoate
CID 42631900

Frequently Asked Questions

What is the IUPAC name of (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride?
The IUPAC name of (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride (CID 171109487) is (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride is COC(=O)c1ccccc1OC(=O)c1cccnc1.Cl.
What is the InChIKey of (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride?
The InChIKey is WAMIDVAXCQAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4.ClH/c1-18-14(17)11-6-2-3-7-12(11)19-13(16)10-5-4-8-15-9-10;/h2-9H,1H3;1H.
What are the key properties of (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride?
(2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride has a molecular weight of 293.71 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycarbonylphenyl) pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 171109487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).