2-methyl-4aH-cyclohepta[b]pyridin-9-ol

C11H11NO — CID 143770507

IUPAC2-methyl-4aH-cyclohepta[b]pyridin-9-ol
SMILESCC1=NC2=C(O)C=CC=CC2C=C1
InChIInChI=1S/C11H11NO/c1-8-6-7-9-4-2-3-5-10(13)11(9)12-8/h2-7,9,13H,1H3
InChIKeyURTOSQPVIGRQRY-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.53
Rot. Bonds

About 2-methyl-4aH-cyclohepta[b]pyridin-9-ol

2-methyl-4aH-cyclohepta[b]pyridin-9-ol (PubChem CID 143770507) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-4aH-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name2-methyl-4aH-cyclohepta[b]pyridin-9-ol
PubChem CID143770507
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name2-methyl-4aH-cyclohepta[b]pyridin-9-ol
SMILESCC1=NC2=C(O)C=CC=CC2C=C1
InChIInChI=1S/C11H11NO/c1-8-6-7-9-4-2-3-5-10(13)11(9)12-8/h2-7,9,13H,1H3
InChIKeyURTOSQPVIGRQRY-UHFFFAOYSA-N
XLogP2.53
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4aH-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 2-methyl-4aH-cyclohepta[b]pyridin-9-ol (CID 143770507) is 2-methyl-4aH-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 2-methyl-4aH-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 2-methyl-4aH-cyclohepta[b]pyridin-9-ol is CC1=NC2=C(O)C=CC=CC2C=C1.
What is the InChIKey of 2-methyl-4aH-cyclohepta[b]pyridin-9-ol?
The InChIKey is URTOSQPVIGRQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8-6-7-9-4-2-3-5-10(13)11(9)12-8/h2-7,9,13H,1H3.
What are the key properties of 2-methyl-4aH-cyclohepta[b]pyridin-9-ol?
2-methyl-4aH-cyclohepta[b]pyridin-9-ol has a molecular weight of 173.22 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4aH-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 143770507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).