2-bromo-1H-indole-6-carboxamide

C9H7BrN2O — CID 174840846

IUPAC2-bromo-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2cc(Br)[nH]c2c1
InChIInChI=1S/C9H7BrN2O/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H,(H2,11,13)
InChIKeyGRVSERRBVOGRNZ-UHFFFAOYSA-N
MW239.07 g/mol
LogP2.03
Rot. Bonds1

About 2-bromo-1H-indole-6-carboxamide

2-bromo-1H-indole-6-carboxamide (PubChem CID 174840846) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 2-bromo-1H-indole-6-carboxamide.

Molecular Properties

Compound Name2-bromo-1H-indole-6-carboxamide
PubChem CID174840846
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name2-bromo-1H-indole-6-carboxamide
SMILESNC(=O)c1ccc2cc(Br)[nH]c2c1
InChIInChI=1S/C9H7BrN2O/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H,(H2,11,13)
InChIKeyGRVSERRBVOGRNZ-UHFFFAOYSA-N
XLogP2.03
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1H-indole-6-carboxamide
CID 69443786
2-bromo-3H-benzimidazole-5-carboxamide
CID 130960891
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
tetracene-2-carboxamide;hydrobromide
CID 22400124
2-bromo-1H-indole;prop-2-enyl carbonochloridate
CID 175251296
7-carbamimidoyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988875
3H-benzo[e]indole-8-carboxamide
CID 141139150
6-oxo-5H-phenanthridine-3-carboxamide
CID 140650320
2-chloro-1H-indole-6-carbonyl chloride
CID 86041596
[amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium dichloride
CID 172946437
2-methyl-1-benzothiophene-6-carboxamide
CID 142924497
3,4-dihydropyrazolo[5,4-b]indole-7-carboxamide
CID 166107175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1H-indole-6-carboxamide?
The IUPAC name of 2-bromo-1H-indole-6-carboxamide (CID 174840846) is 2-bromo-1H-indole-6-carboxamide.
What is the SMILES notation for 2-bromo-1H-indole-6-carboxamide?
The canonical SMILES for 2-bromo-1H-indole-6-carboxamide is NC(=O)c1ccc2cc(Br)[nH]c2c1.
What is the InChIKey of 2-bromo-1H-indole-6-carboxamide?
The InChIKey is GRVSERRBVOGRNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-8-4-5-1-2-6(9(11)13)3-7(5)12-8/h1-4,12H,(H2,11,13).
What are the key properties of 2-bromo-1H-indole-6-carboxamide?
2-bromo-1H-indole-6-carboxamide has a molecular weight of 239.07 g/mol, XLogP of 2.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1H-indole-6-carboxamide is sourced from PubChem (CID 174840846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).