(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate

C14H10ClNO4 — CID 7802632

IUPAC(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H10ClNO4/c1-19-13(17)9-2-4-11(5-3-9)20-14(18)12-8-10(15)6-7-16-12/h2-8H,1H3
InChIKeySBCZBJBNVHPLLH-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.74
Rot. Bonds3

About (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate

(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate (PubChem CID 7802632) has the molecular formula C14H10ClNO4 and a molecular weight of 291.69 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
PubChem CID7802632
Molecular FormulaC14H10ClNO4
Molecular Weight291.69 g/mol
Exact Mass291.03
IUPAC Name(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C14H10ClNO4/c1-19-13(17)9-2-4-11(5-3-9)20-14(18)12-8-10(15)6-7-16-12/h2-8H,1H3
InChIKeySBCZBJBNVHPLLH-UHFFFAOYSA-N
XLogP2.74
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.74
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

methyl 4-(4-chlorobenzoyl)oxybenzoate
CID 4943503
1-(4-chloro-2-pyridinyl)-2-(4-methoxyphenyl)ethane-1,2-dione
CID 59763976
(4-methoxycarbonylphenyl) 5-methylpyrazine-2-carboxylate
CID 7956905
(4-methoxycarbonylphenyl) 2-(dimethylamino)pyridine-4-carboxylate
CID 51114366
methyl 4-chloro-6-fluoropyridine-2-carboxylate;methyl 4-chloropyridine-2-carboxylate;hydroiodide
CID 159623363
2-(2-methoxyethoxy)ethyl 4-chloropyridine-2-carboxylate
CID 104567564
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946
(4-methoxycarbonylphenyl) 3,4,5-trichloropyridine-2-carboxylate
CID 8961342
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
methyl 4-methoxycarbonyloxybenzoate
CID 584598
(4-methoxycarbonylphenyl) 5-bromo-2-chlorobenzoate
CID 7956906

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate (CID 7802632) is (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate is COC(=O)c1ccc(OC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate?
The InChIKey is SBCZBJBNVHPLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO4/c1-19-13(17)9-2-4-11(5-3-9)20-14(18)12-8-10(15)6-7-16-12/h2-8H,1H3.
What are the key properties of (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate?
(4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate has a molecular weight of 291.69 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 4-chloropyridine-2-carboxylate is sourced from PubChem (CID 7802632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).