6,8-dichloro-3-pyridin-2-ylchromen-2-one

C14H7Cl2NO2 — CID 23969165

IUPAC6,8-dichloro-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2c(Cl)cc(Cl)cc2cc1-c1ccccn1
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-8-6-10(12-3-1-2-4-17-12)14(18)19-13(8)11(16)7-9/h1-7H
InChIKeyDVXMYBORNQXWJO-UHFFFAOYSA-N
MW292.12 g/mol
LogP4.16
Rot. Bonds1

About 6,8-dichloro-3-pyridin-2-ylchromen-2-one

6,8-dichloro-3-pyridin-2-ylchromen-2-one (PubChem CID 23969165) has the molecular formula C14H7Cl2NO2 and a molecular weight of 292.12 g/mol. Its IUPAC name is 6,8-dichloro-3-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name6,8-dichloro-3-pyridin-2-ylchromen-2-one
PubChem CID23969165
Molecular FormulaC14H7Cl2NO2
Molecular Weight292.12 g/mol
Exact Mass290.99
IUPAC Name6,8-dichloro-3-pyridin-2-ylchromen-2-one
SMILESO=c1oc2c(Cl)cc(Cl)cc2cc1-c1ccccn1
InChIInChI=1S/C14H7Cl2NO2/c15-9-5-8-6-10(12-3-1-2-4-17-12)14(18)19-13(8)11(16)7-9/h1-7H
InChIKeyDVXMYBORNQXWJO-UHFFFAOYSA-N
XLogP4.16
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-{3,5-Dichloro-4-[4-hydroxy-3-(pyridin-2-yl)phenoxy]phenyl}acetic acid
CID 135559141
(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11546395
Sodium 2-[(5-chloro-2-phenylmethoxyphenyl)methyl]pyridine-4-carboxylate
CID 44455021
Coumarin, 6-chloro-3-(4-pyridyl)-
CID 13287
(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)-4-pyridinyl]amino]benzoate
CID 11648315
6-chloro-3-[(E)-2-pyridin-2-ylethenyl]chromen-4-one
CID 76313807
(3,5-Dichloro-2-prop-2-enoxyphenyl)-pyridin-3-ylmethanone
CID 118713014
3-(Pyridin-2-yl)-2H-chromen-2-one
CID 11064051
6-Chloro-2-pyridin-3-ylchromen-4-one
CID 252243
Pyridin-4-yl 3-chlorobenzoate
CID 12624132
6,8-Dichloro-2-pyridin-3-ylchromen-4-one
CID 12921001
(2-Pyridin-2-ylphenyl) 4-chlorobenzoate
CID 86072267

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-pyridin-2-ylchromen-2-one?
The IUPAC name of 6,8-dichloro-3-pyridin-2-ylchromen-2-one (CID 23969165) is 6,8-dichloro-3-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 6,8-dichloro-3-pyridin-2-ylchromen-2-one?
The canonical SMILES for 6,8-dichloro-3-pyridin-2-ylchromen-2-one is O=c1oc2c(Cl)cc(Cl)cc2cc1-c1ccccn1.
What is the InChIKey of 6,8-dichloro-3-pyridin-2-ylchromen-2-one?
The InChIKey is DVXMYBORNQXWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2NO2/c15-9-5-8-6-10(12-3-1-2-4-17-12)14(18)19-13(8)11(16)7-9/h1-7H.
What are the key properties of 6,8-dichloro-3-pyridin-2-ylchromen-2-one?
6,8-dichloro-3-pyridin-2-ylchromen-2-one has a molecular weight of 292.12 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 23969165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).