2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

C12H17NO3 — CID 56601921

IUPAC2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCOc1cc(OC)c2c(n1)C(O)CCCC2
InChIInChI=1S/C12H17NO3/c1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14/h7,9,14H,3-6H2,1-2H3
InChIKeyRZTIKUOLMDHRGS-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.86
Rot. Bonds2

About 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol

2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (PubChem CID 56601921) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.

Molecular Properties

Compound Name2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
PubChem CID56601921
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
SMILESCOc1cc(OC)c2c(n1)C(O)CCCC2
InChIInChI=1S/C12H17NO3/c1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14/h7,9,14H,3-6H2,1-2H3
InChIKeyRZTIKUOLMDHRGS-UHFFFAOYSA-N
XLogP1.86
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-{[3,6-Dimethyl-4-(pentan-3-yloxy)pyridin-2-yl]oxy}-3,5-dimethylphenyl)methanol
CID 21912450
1-(6,7,8,9-tetrahydro-3-methyl-5H-cyclohepta[b]pyrid-2-yl)-1-(3-methoxyphenyl)methanol
CID 10424723
(4-Methoxy-6-methylpyridin-2-yl)methanol
CID 13925676
1-(6-Methoxypyridin-2-yl)ethanol
CID 68951207
(6-Methoxy-3-methylpyridin-2-yl)methanol
CID 89385899
(2-Methoxy-4,6-dimethylpyridin-3-yl)methanol
CID 61257155
6-Methoxy-2,4-dimethylpyridin-3-OL
CID 11367108
(6-Methoxy-3,5-dimethylpyridin-2-yl)methanol
CID 70702453
4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 10061196
(6-(4-(Trifluoromethoxy)phenyl)pyridin-2-yl)methanol
CID 24730097
[6-(2,6-Diethyl-phenyl)-4-methoxy-2-trifluoromethyl-pyridin-3-yl]-methanol
CID 59678353
4-(3,3,3-trifluoropropoxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
CID 68094375

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The IUPAC name of 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol (CID 56601921) is 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol.
What is the SMILES notation for 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The canonical SMILES for 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is COc1cc(OC)c2c(n1)C(O)CCCC2.
What is the InChIKey of 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
The InChIKey is RZTIKUOLMDHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-15-10-7-11(16-2)13-12-8(10)5-3-4-6-9(12)14/h7,9,14H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol?
2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol has a molecular weight of 223.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol is sourced from PubChem (CID 56601921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).