N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide

C14H10BrFN4O — CID 166460534

IUPACN-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide
SMILESNc1nc2cc(NC(=O)c3ccccc3F)[nH]c2cc1Br
InChIInChI=1S/C14H10BrFN4O/c15-8-5-10-11(19-13(8)17)6-12(18-10)20-14(21)7-3-1-2-4-9(7)16/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyNJFYZDPJAWQZJJ-UHFFFAOYSA-N
MW349.16 g/mol
LogP3.30
Rot. Bonds2

About N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide

N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide (PubChem CID 166460534) has the molecular formula C14H10BrFN4O and a molecular weight of 349.16 g/mol. Its IUPAC name is N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide
PubChem CID166460534
Molecular FormulaC14H10BrFN4O
Molecular Weight349.16 g/mol
Exact Mass348.00
IUPAC NameN-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide
SMILESNc1nc2cc(NC(=O)c3ccccc3F)[nH]c2cc1Br
InChIInChI=1S/C14H10BrFN4O/c15-8-5-10-11(19-13(8)17)6-12(18-10)20-14(21)7-3-1-2-4-9(7)16/h1-6,18H,(H2,17,19)(H,20,21)
InChIKeyNJFYZDPJAWQZJJ-UHFFFAOYSA-N
XLogP3.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide?
The IUPAC name of N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide (CID 166460534) is N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide is Nc1nc2cc(NC(=O)c3ccccc3F)[nH]c2cc1Br.
What is the InChIKey of N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide?
The InChIKey is NJFYZDPJAWQZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN4O/c15-8-5-10-11(19-13(8)17)6-12(18-10)20-14(21)7-3-1-2-4-9(7)16/h1-6,18H,(H2,17,19)(H,20,21).
What are the key properties of N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide?
N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide has a molecular weight of 349.16 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)-2-fluorobenzamide is sourced from PubChem (CID 166460534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).