7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one

C16H14ClNO2 — CID 162650170

IUPAC7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
SMILESCC1(C)C=Cc2c(c(-c3ccccc3)c(Cl)[nH]c2=O)O1
InChIInChI=1S/C16H14ClNO2/c1-16(2)9-8-11-13(20-16)12(14(17)18-15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)
InChIKeyBYITYAYGRIUZQS-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.88
Rot. Bonds1

About 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one

7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one (PubChem CID 162650170) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
PubChem CID162650170
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one
SMILESCC1(C)C=Cc2c(c(-c3ccccc3)c(Cl)[nH]c2=O)O1
InChIInChI=1S/C16H14ClNO2/c1-16(2)9-8-11-13(20-16)12(14(17)18-15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19)
InChIKeyBYITYAYGRIUZQS-UHFFFAOYSA-N
XLogP3.88
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one?
The IUPAC name of 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one (CID 162650170) is 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one.
What is the SMILES notation for 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one?
The canonical SMILES for 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one is CC1(C)C=Cc2c(c(-c3ccccc3)c(Cl)[nH]c2=O)O1.
What is the InChIKey of 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one?
The InChIKey is BYITYAYGRIUZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-16(2)9-8-11-13(20-16)12(14(17)18-15(11)19)10-6-4-3-5-7-10/h3-9H,1-2H3,(H,18,19).
What are the key properties of 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one?
7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one has a molecular weight of 287.75 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-8-phenyl-6H-pyrano[3,2-c]pyridin-5-one is sourced from PubChem (CID 162650170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).