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

C9H6BrFN2O — CID 146302018

IUPAC4-bromo-6-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cc(F)cc2[nH]1
InChIInChI=1S/C9H6BrFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyHBFJMBJKIVHKRN-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.17
Rot. Bonds1

About 4-bromo-6-fluoro-1H-indole-2-carboxamide

4-bromo-6-fluoro-1H-indole-2-carboxamide (PubChem CID 146302018) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 4-bromo-6-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-6-fluoro-1H-indole-2-carboxamide
PubChem CID146302018
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name4-bromo-6-fluoro-1H-indole-2-carboxamide
SMILESNC(=O)c1cc2c(Br)cc(F)cc2[nH]1
InChIInChI=1S/C9H6BrFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14)
InChIKeyHBFJMBJKIVHKRN-UHFFFAOYSA-N
XLogP2.17
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indole-2-carbohydrazide
CID 231954
6-Bromo-2,3,4,9-tetrahydro-1H-carbazol-1-one
CID 708529
N-Phenyl-1H-indole-2-carboxamide
CID 589138
5-bromo-3-phenyl-1H-indole-2-carbohydrazide
CID 949916
5-fluoro-1H-indole-2-carbohydrazide
CID 2728177
1H-Indole-2-carboxamide
CID 594832
N-(2-bromo-4-fluorophenyl)-5-ethyl-1H-indole-2-carboxamide
CID 2823648
(5-Bromo-1H-indol-2-yl)(2,3-dihydro-1H-indol-1-yl)methanone
CID 7693269
(5,7-difluoro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9900313
(5-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 9923162
(7-bromo-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 9966927
(6-bromo-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
CID 10860228

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-1H-indole-2-carboxamide?
The IUPAC name of 4-bromo-6-fluoro-1H-indole-2-carboxamide (CID 146302018) is 4-bromo-6-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for 4-bromo-6-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for 4-bromo-6-fluoro-1H-indole-2-carboxamide is NC(=O)c1cc2c(Br)cc(F)cc2[nH]1.
What is the InChIKey of 4-bromo-6-fluoro-1H-indole-2-carboxamide?
The InChIKey is HBFJMBJKIVHKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-6-1-4(11)2-7-5(6)3-8(13-7)9(12)14/h1-3,13H,(H2,12,14).
What are the key properties of 4-bromo-6-fluoro-1H-indole-2-carboxamide?
4-bromo-6-fluoro-1H-indole-2-carboxamide has a molecular weight of 257.06 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 146302018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).