3-chloro-9H-pyrido[2,3-b]indole

C22H14Cl2N4 — CID 158959947

IUPAC3-chloro-9H-pyrido[2,3-b]indole
SMILESClc1cnc2[nH]c3ccccc3c2c1.Clc1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/2C11H7ClN2/c2*12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h2*1-6H,(H,13,14)
InChIKeyJMMKWCKEXPPFBG-UHFFFAOYSA-N
MW405.29 g/mol
LogP6.74
Rot. Bonds

About 3-chloro-9H-pyrido[2,3-b]indole

3-chloro-9H-pyrido[2,3-b]indole (PubChem CID 158959947) has the molecular formula C22H14Cl2N4 and a molecular weight of 405.29 g/mol. Its IUPAC name is 3-chloro-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name3-chloro-9H-pyrido[2,3-b]indole
PubChem CID158959947
Molecular FormulaC22H14Cl2N4
Molecular Weight405.29 g/mol
Exact Mass404.06
IUPAC Name3-chloro-9H-pyrido[2,3-b]indole
SMILESClc1cnc2[nH]c3ccccc3c2c1.Clc1cnc2[nH]c3ccccc3c2c1
InChIInChI=1S/2C11H7ClN2/c2*12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h2*1-6H,(H,13,14)
InChIKeyJMMKWCKEXPPFBG-UHFFFAOYSA-N
XLogP6.74
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 56.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
CID 58167982
3-methyl-9H-pyrido[2,3-b]indole
CID 12596583
3-chloro-6-(2-phenylethenyl)-9H-pyrido[2,3-b]indole
CID 68627440
(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-phenylmethanone
CID 66765937
9H-pyrido[2,3-b]indole-3-carboxamide
CID 69263092
3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
9H-carbazole
CID 66668984
3-[(2S)-1-methylpyrrolidin-2-yl]-9H-pyrido[2,3-b]indole
CID 59522850
2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
CID 71111092
9H-pyrido[2,3-b]indole;2H-triazole
CID 67361735
1-(3-chloro-9H-pyrido[2,3-b]indol-6-yl)-2-(2-phenoxyethylsulfanyl)ethanone
CID 46185657
9H-carbazole;copper
CID 159878189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-9H-pyrido[2,3-b]indole?
The IUPAC name of 3-chloro-9H-pyrido[2,3-b]indole (CID 158959947) is 3-chloro-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 3-chloro-9H-pyrido[2,3-b]indole?
The canonical SMILES for 3-chloro-9H-pyrido[2,3-b]indole is Clc1cnc2[nH]c3ccccc3c2c1.Clc1cnc2[nH]c3ccccc3c2c1.
What is the InChIKey of 3-chloro-9H-pyrido[2,3-b]indole?
The InChIKey is JMMKWCKEXPPFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H7ClN2/c2*12-7-5-9-8-3-1-2-4-10(8)14-11(9)13-6-7/h2*1-6H,(H,13,14).
What are the key properties of 3-chloro-9H-pyrido[2,3-b]indole?
3-chloro-9H-pyrido[2,3-b]indole has a molecular weight of 405.29 g/mol, XLogP of 6.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 158959947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).