7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one

C10H10ClNO2 — CID 88921692

IUPAC7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
SMILESCC1(C)CC(=O)c2cnc(Cl)cc2O1
InChIInChI=1S/C10H10ClNO2/c1-10(2)4-7(13)6-5-12-9(11)3-8(6)14-10/h3,5H,4H2,1-2H3
InChIKeyWHOBYIKRQFJJDL-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.48
Rot. Bonds

About 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one

7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one (PubChem CID 88921692) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
PubChem CID88921692
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one
SMILESCC1(C)CC(=O)c2cnc(Cl)cc2O1
InChIInChI=1S/C10H10ClNO2/c1-10(2)4-7(13)6-5-12-9(11)3-8(6)14-10/h3,5H,4H2,1-2H3
InChIKeyWHOBYIKRQFJJDL-UHFFFAOYSA-N
XLogP2.48
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-3H-pyrano[3,2-c]pyridin-4-one?
The IUPAC name of 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one (CID 88921692) is 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one?
The canonical SMILES for 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one is CC1(C)CC(=O)c2cnc(Cl)cc2O1.
What is the InChIKey of 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one?
The InChIKey is WHOBYIKRQFJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-10(2)4-7(13)6-5-12-9(11)3-8(6)14-10/h3,5H,4H2,1-2H3.
What are the key properties of 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one?
7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one has a molecular weight of 211.65 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,2-dimethyl-3H-pyrano[3,2-c]pyridin-4-one is sourced from PubChem (CID 88921692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).