(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate

C15H8ClNO4 — CID 10804277

IUPAC(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H8ClNO4/c16-10-6-11(8-17-7-10)20-14(18)12-5-9-3-1-2-4-13(9)21-15(12)19/h1-8H
InChIKeySGHKVFYMZNVFKN-UHFFFAOYSA-N
MW301.69 g/mol
LogP3.06
Rot. Bonds2

About (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate

(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate (PubChem CID 10804277) has the molecular formula C15H8ClNO4 and a molecular weight of 301.69 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate
PubChem CID10804277
Molecular FormulaC15H8ClNO4
Molecular Weight301.69 g/mol
Exact Mass301.01
IUPAC Name(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O
InChIInChI=1S/C15H8ClNO4/c16-10-6-11(8-17-7-10)20-14(18)12-5-9-3-1-2-4-13(9)21-15(12)19/h1-8H
InChIKeySGHKVFYMZNVFKN-UHFFFAOYSA-N
XLogP3.06
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Pyridin-3-yl 3-chlorobenzoate
CID 943638
5-Chloropyridin-3-yl 4-chlorobenzoate
CID 16202740
5-Chloropyridin-3-yl 1-naphthoate
CID 16203908
5-Chloropyridin-3-yl 3-methoxybenzoate
CID 16204324
pyridin-3-yl 2-oxo-2H-chromene-3-carboxylate
CID 2235625
(5-Chloro-3-pyridinyl) 2-oxo-6-(propanoyloxymethyl)chromene-3-carboxylate
CID 402512
Pyridin-3-yl 4-chlorobenzoate hydrochloride
CID 6602830
Coumarin, 6-chloro-3-(4-pyridyl)-
CID 13287
Pyridin-3-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate
CID 402505
Pyridin-2-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate
CID 402507
(5-Chloro-3-pyridinyl) 6-(aminomethyl)-2-oxochromene-3-carboxylate;hydrochloride
CID 402513
(5-Chloro-3-pyridinyl) benzoate
CID 3498108

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate (CID 10804277) is (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate is O=C(Oc1cncc(Cl)c1)c1cc2ccccc2oc1=O.
What is the InChIKey of (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate?
The InChIKey is SGHKVFYMZNVFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClNO4/c16-10-6-11(8-17-7-10)20-14(18)12-5-9-3-1-2-4-13(9)21-15(12)19/h1-8H.
What are the key properties of (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate?
(5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate has a molecular weight of 301.69 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 2-oxochromene-3-carboxylate is sourced from PubChem (CID 10804277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).