(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol

C12H13ClN2O — CID 146387814

IUPAC(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol
SMILESOCC1CNCc2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C12H13ClN2O/c13-8-1-2-10-9(3-8)12-7(6-16)4-14-5-11(12)15-10/h1-3,7,14-16H,4-6H2
InChIKeyYKLTWUGGXACAFH-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.00
Rot. Bonds1

About (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol

(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol (PubChem CID 146387814) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol.

Molecular Properties

Compound Name(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol
PubChem CID146387814
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol
SMILESOCC1CNCc2[nH]c3ccc(Cl)cc3c21
InChIInChI=1S/C12H13ClN2O/c13-8-1-2-10-9(3-8)12-7(6-16)4-14-5-11(12)15-10/h1-3,7,14-16H,4-6H2
InChIKeyYKLTWUGGXACAFH-UHFFFAOYSA-N
XLogP2.00
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[6-chloro-2-(3-chloroanilino)sulfanyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-4-yl]methanol
CID 153405474
8-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740342
8-chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
CID 46735922
2-(7-chloro-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)acetic acid
CID 71384182
6-chloro-4-nitroso-2,3,4,9-tetrahydro-1H-carbazole
CID 123308396
8-chloro-1,2-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 68760066
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
CID 140799634
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methanamine
CID 69235228
(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-4-yl)methanamine
CID 84741102
5-chloro-2-(4-fluorophenyl)-3-piperidin-4-yl-1H-indole
CID 70095651
6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452712
2-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)methyl]propanedioic acid
CID 23463663

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol?
The IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol (CID 146387814) is (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol.
What is the SMILES notation for (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol?
The canonical SMILES for (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol is OCC1CNCc2[nH]c3ccc(Cl)cc3c21.
What is the InChIKey of (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol?
The InChIKey is YKLTWUGGXACAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-8-1-2-10-9(3-8)12-7(6-16)4-14-5-11(12)15-10/h1-3,7,14-16H,4-6H2.
What are the key properties of (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol?
(6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol has a molecular weight of 236.70 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-4-yl)methanol is sourced from PubChem (CID 146387814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).