2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

C10H12ClNO — CID 165117617

IUPAC2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(Cl)ccc2CO1
InChIInChI=1S/C10H12ClNO/c1-10(2)5-8-7(6-13-10)3-4-9(11)12-8/h3-4H,5-6H2,1-2H3
InChIKeyKQALAFGXSSMIOD-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.59
Rot. Bonds

About 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine

2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (PubChem CID 165117617) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.

Molecular Properties

Compound Name2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
PubChem CID165117617
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine
SMILESCC1(C)Cc2nc(Cl)ccc2CO1
InChIInChI=1S/C10H12ClNO/c1-10(2)5-8-7(6-13-10)3-4-9(11)12-8/h3-4H,5-6H2,1-2H3
InChIKeyKQALAFGXSSMIOD-UHFFFAOYSA-N
XLogP2.59
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.59
H-Bond Donors ≤ 50
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 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The IUPAC name of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine (CID 165117617) is 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine.
What is the SMILES notation for 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The canonical SMILES for 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is CC1(C)Cc2nc(Cl)ccc2CO1.
What is the InChIKey of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
The InChIKey is KQALAFGXSSMIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-10(2)5-8-7(6-13-10)3-4-9(11)12-8/h3-4H,5-6H2,1-2H3.
What are the key properties of 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine?
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine has a molecular weight of 197.66 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine is sourced from PubChem (CID 165117617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).