2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

C14H10BrN3O — CID 70866161

IUPAC2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)18-10-7-9-5-6-16-13(9)17-8-10/h1-8H,(H,16,17)(H,18,19)
InChIKeyRYOPURARSXZFMW-UHFFFAOYSA-N
MW316.16 g/mol
LogP3.58
Rot. Bonds2

About 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide

2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (PubChem CID 70866161) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
PubChem CID70866161
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
SMILESO=C(Nc1cnc2[nH]ccc2c1)c1ccccc1Br
InChIInChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)18-10-7-9-5-6-16-13(9)17-8-10/h1-8H,(H,16,17)(H,18,19)
InChIKeyRYOPURARSXZFMW-UHFFFAOYSA-N
XLogP3.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11507964
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N-[4-(1H-benzimidazol-2-yl)phenyl]-5-bromonicotinamide
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Y-33075
CID 9810884
N-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-3-carboxamide
CID 9858007
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)benzamide
CID 11521534
4-({4-[(2,2,2-Trifluoroethyl)amino]-1H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)benzamide
CID 16129358
4-(1-aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide
CID 18754163
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CID 24856835

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The IUPAC name of 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide (CID 70866161) is 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is O=C(Nc1cnc2[nH]ccc2c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
The InChIKey is RYOPURARSXZFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-12-4-2-1-3-11(12)14(19)18-10-7-9-5-6-16-13(9)17-8-10/h1-8H,(H,16,17)(H,18,19).
What are the key properties of 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide?
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide has a molecular weight of 316.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 70866161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).