7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C12H13ClN2 — CID 84740349

IUPAC7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1CNCc2c1[nH]c1cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2/c1-7-5-14-6-10-9-3-2-8(13)4-11(9)15-12(7)10/h2-4,7,14-15H,5-6H2,1H3
InChIKeyCVHXKZDZBUUWLY-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.03
Rot. Bonds

About 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 84740349) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID84740349
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESCC1CNCc2c1[nH]c1cc(Cl)ccc21
InChIInChI=1S/C12H13ClN2/c1-7-5-14-6-10-9-3-2-8(13)4-11(9)15-12(7)10/h2-4,7,14-15H,5-6H2,1H3
InChIKeyCVHXKZDZBUUWLY-UHFFFAOYSA-N
XLogP3.03
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740342
7-chloro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-amine
CID 84628008
6-chloro-4,9-dimethyl-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 84741078
3-bromo-6-chloro-2-cyclopropyl-1H-indole
CID 82379195
(4R)-8-chloro-4-methyl-1,2,3,4-tetrahydroisoquinoline
CID 86317043
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278
6-methoxy-4,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 84740794
(5R)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 143007161
1-(2,6-dichloro-1H-indol-3-yl)ethanol
CID 82269694
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
(5R)-10-chloro-5-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 59071341

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 84740349) is 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is CC1CNCc2c1[nH]c1cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is CVHXKZDZBUUWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-7-5-14-6-10-9-3-2-8(13)4-11(9)15-12(7)10/h2-4,7,14-15H,5-6H2,1H3.
What are the key properties of 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 220.70 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 84740349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).