2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile

C18H11BrN4 — CID 23643747

IUPAC2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c3ccccc3c2c1-c1ccccc1Br
InChIInChI=1S/C18H11BrN4/c19-13-7-3-1-5-10(13)15-12(9-20)17(21)23-18-16(15)11-6-2-4-8-14(11)22-18/h1-8H,(H3,21,22,23)
InChIKeyIVTIUKHTLBQMQY-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.60
Rot. Bonds1

About 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile

2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile (PubChem CID 23643747) has the molecular formula C18H11BrN4 and a molecular weight of 363.22 g/mol. Its IUPAC name is 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile
PubChem CID23643747
Molecular FormulaC18H11BrN4
Molecular Weight363.22 g/mol
Exact Mass362.02
IUPAC Name2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile
SMILESN#Cc1c(N)nc2[nH]c3ccccc3c2c1-c1ccccc1Br
InChIInChI=1S/C18H11BrN4/c19-13-7-3-1-5-10(13)15-12(9-20)17(21)23-18-16(15)11-6-2-4-8-14(11)22-18/h1-8H,(H3,21,22,23)
InChIKeyIVTIUKHTLBQMQY-UHFFFAOYSA-N
XLogP4.60
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(2-bromophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393004
3,6-diamino-4-(2-bromophenyl)-2-(3,4-dichlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 51347983
3,6-diamino-4-(2-bromophenyl)-2-(3-chlorobenzoyl)thieno[2,3-b]pyridine-5-carbonitrile
CID 51347839
11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbonitrile
CID 131849022
4-bromo-9H-pyrido[2,3-b]indole
CID 90389488
2-[12-(2-cyanophenyl)-5,11-dihydroindolo[3,2-b]carbazol-6-yl]benzonitrile
CID 155081196
3,6-diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
CID 51348276
6-amino-4-[2-[5-[2-(6-amino-5-cyano-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenoxy]pentoxy]phenyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 54752606
6-amino-4-(1H-indol-3-yl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 4886426
2-amino-6-(4-bromophenyl)-4-(1H-indol-3-yl)pyridine-3-carbonitrile
CID 10572392
2-amino-6-(2-bromophenyl)-4-(2,3-dimethoxyphenyl)pyridine-3-carbonitrile
CID 5117523
2-amino-6-(2-bromophenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
CID 5117531

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile (CID 23643747) is 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile is N#Cc1c(N)nc2[nH]c3ccccc3c2c1-c1ccccc1Br.
What is the InChIKey of 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile?
The InChIKey is IVTIUKHTLBQMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrN4/c19-13-7-3-1-5-10(13)15-12(9-20)17(21)23-18-16(15)11-6-2-4-8-14(11)22-18/h1-8H,(H3,21,22,23).
What are the key properties of 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile?
2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile has a molecular weight of 363.22 g/mol, XLogP of 4.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-bromophenyl)-9H-pyrido[2,3-b]indole-3-carbonitrile is sourced from PubChem (CID 23643747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).