6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one

C14H10ClNO2 — CID 10587387

IUPAC6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccnc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2
InChIKeyAOCNPHAGBNMEHK-UHFFFAOYSA-N
MW259.69 g/mol
LogP3.44
Rot. Bonds1

About 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one

6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one (PubChem CID 10587387) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one
PubChem CID10587387
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cccnc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C14H10ClNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2
InChIKeyAOCNPHAGBNMEHK-UHFFFAOYSA-N
XLogP3.44
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one (CID 10587387) is 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one is O=C1CC(c2cccnc2)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
The InChIKey is AOCNPHAGBNMEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-10-3-4-13-11(6-10)12(17)7-14(18-13)9-2-1-5-16-8-9/h1-6,8,14H,7H2.
What are the key properties of 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one?
6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one has a molecular weight of 259.69 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-pyridin-3-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10587387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).