1H-cyclohepta[b]pyridin-9-ol

C10H9NO — CID 141340000

IUPAC1H-cyclohepta[b]pyridin-9-ol
SMILESOC1=C2NC=CC=C2C=CC=C1
InChIInChI=1S/C10H9NO/c12-9-6-2-1-4-8-5-3-7-11-10(8)9/h1-7,11-12H
InChIKeyROMVYAMXZCFGJN-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.93
Rot. Bonds

About 1H-cyclohepta[b]pyridin-9-ol

1H-cyclohepta[b]pyridin-9-ol (PubChem CID 141340000) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name1H-cyclohepta[b]pyridin-9-ol
PubChem CID141340000
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1H-cyclohepta[b]pyridin-9-ol
SMILESOC1=C2NC=CC=C2C=CC=C1
InChIInChI=1S/C10H9NO/c12-9-6-2-1-4-8-5-3-7-11-10(8)9/h1-7,11-12H
InChIKeyROMVYAMXZCFGJN-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methylidene-1H-quinolin-8-ol
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2H-2-benzazepin-4-ol
CID 87766208
2,4-dimethyl-1H-pyridin-2-ol
CID 89313275
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-ol
CID 129035735
(3E)-4-(ethenylamino)hexa-1,3-dien-2-ol
CID 139480973
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1H-pyrrol-3-ol
CID 139516748
1H-cyclohepta[b]pyridine-8,9-diol
CID 141297281
2,7-dihydro-1H-cyclohepta[b]pyridin-9-ol
CID 141339996
(E,1Z)-1-(2-methylidene-1H-pyrrol-3-ylidene)but-2-en-2-ol
CID 142269992

Frequently Asked Questions

What is the IUPAC name of 1H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 1H-cyclohepta[b]pyridin-9-ol (CID 141340000) is 1H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 1H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 1H-cyclohepta[b]pyridin-9-ol is OC1=C2NC=CC=C2C=CC=C1.
What is the InChIKey of 1H-cyclohepta[b]pyridin-9-ol?
The InChIKey is ROMVYAMXZCFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c12-9-6-2-1-4-8-5-3-7-11-10(8)9/h1-7,11-12H.
What are the key properties of 1H-cyclohepta[b]pyridin-9-ol?
1H-cyclohepta[b]pyridin-9-ol has a molecular weight of 159.19 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 141340000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).