5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide

C10H8BrN3O — CID 79107190

IUPAC5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
SMILESO=C(Nn1cccc1)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h1-7H,(H,13,15)
InChIKeyPJJQDYQAWZRCNT-UHFFFAOYSA-N
MW266.10 g/mol
LogP2.03
Rot. Bonds2

About 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide

5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide (PubChem CID 79107190) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
PubChem CID79107190
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide
SMILESO=C(Nn1cccc1)c1ccc(Br)cn1
InChIInChI=1S/C10H8BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h1-7H,(H,13,15)
InChIKeyPJJQDYQAWZRCNT-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide (CID 79107190) is 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide is O=C(Nn1cccc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide?
The InChIKey is PJJQDYQAWZRCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-8-3-4-9(12-7-8)10(15)13-14-5-1-2-6-14/h1-7H,(H,13,15).
What are the key properties of 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide?
5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide has a molecular weight of 266.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pyrrol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 79107190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).