6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one

C17H14ClNO3 — CID 87716930

IUPAC6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one
SMILESCC(C)Oc1cc2oc(=O)cc(-c3ccccn3)c2cc1Cl
InChIInChI=1S/C17H14ClNO3/c1-10(2)21-16-9-15-12(7-13(16)18)11(8-17(20)22-15)14-5-3-4-6-19-14/h3-10H,1-2H3
InChIKeyFYSIHIGVKRIXJQ-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.30
Rot. Bonds3

About 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one

6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one (PubChem CID 87716930) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one
PubChem CID87716930
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one
SMILESCC(C)Oc1cc2oc(=O)cc(-c3ccccn3)c2cc1Cl
InChIInChI=1S/C17H14ClNO3/c1-10(2)21-16-9-15-12(7-13(16)18)11(8-17(20)22-15)14-5-3-4-6-19-14/h3-10H,1-2H3
InChIKeyFYSIHIGVKRIXJQ-UHFFFAOYSA-N
XLogP4.30
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one?
The IUPAC name of 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one (CID 87716930) is 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one.
What is the SMILES notation for 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one?
The canonical SMILES for 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one is CC(C)Oc1cc2oc(=O)cc(-c3ccccn3)c2cc1Cl.
What is the InChIKey of 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one?
The InChIKey is FYSIHIGVKRIXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10(2)21-16-9-15-12(7-13(16)18)11(8-17(20)22-15)14-5-3-4-6-19-14/h3-10H,1-2H3.
What are the key properties of 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one?
6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one has a molecular weight of 315.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-propan-2-yloxy-4-pyridin-2-ylchromen-2-one is sourced from PubChem (CID 87716930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).