7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

C12H11ClN2O2 — CID 69421585

IUPAC7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3ccc(Cl)cc31)CCNC2
InChIInChI=1S/C12H11ClN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeySGFCHIVNUFEKIB-UHFFFAOYSA-N
MW250.68 g/mol
LogP2.47
Rot. Bonds

About 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid

7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (PubChem CID 69421585) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
PubChem CID69421585
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid
SMILESO=C(O)n1c2c(c3ccc(Cl)cc31)CCNC2
InChIInChI=1S/C12H11ClN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17)
InChIKeySGFCHIVNUFEKIB-UHFFFAOYSA-N
XLogP2.47
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 14595512
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
6-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 44287208
2-(2-Benzyl-7-chloro-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl)acetic acid
CID 57403960
1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 201180
8-Chloro-10-methyl-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 14595518
3-[(1R,3R)-1-(4-chlorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]propanoic acid
CID 122192184
(2S)-3-[(1R,3R)-1-(4-chlorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-methylpropanoic acid
CID 122192186
2-acetyl-1-(4-chlorophenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 10496241
9H-Pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-chlorophenyl)-, hydrochloride
CID 201179
2-[1-(4-Chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanol
CID 122192181

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The IUPAC name of 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid (CID 69421585) is 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid.
What is the SMILES notation for 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The canonical SMILES for 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is O=C(O)n1c2c(c3ccc(Cl)cc31)CCNC2.
What is the InChIKey of 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
The InChIKey is SGFCHIVNUFEKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-7-1-2-8-9-3-4-14-6-11(9)15(12(16)17)10(8)5-7/h1-2,5,14H,3-4,6H2,(H,16,17).
What are the key properties of 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid?
7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid has a molecular weight of 250.68 g/mol, XLogP of 2.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,2,3,4-tetrahydropyrido[3,4-b]indole-9-carboxylic acid is sourced from PubChem (CID 69421585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).