5-bromo-N-cyclopropylpyridine-3-carboxamide

C9H9BrN2O — CID 604228

IUPAC5-bromo-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cncc(Br)c1
InChIInChI=1S/C9H9BrN2O/c10-7-3-6(4-11-5-7)9(13)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,13)
InChIKeySYKDJEARKMRQGE-UHFFFAOYSA-N
MW241.09 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-N-cyclopropylpyridine-3-carboxamide

5-bromo-N-cyclopropylpyridine-3-carboxamide (PubChem CID 604228) has the molecular formula C9H9BrN2O and a molecular weight of 241.09 g/mol. Its IUPAC name is 5-bromo-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropylpyridine-3-carboxamide
PubChem CID604228
Molecular FormulaC9H9BrN2O
Molecular Weight241.09 g/mol
Exact Mass239.99
IUPAC Name5-bromo-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(NC1CC1)c1cncc(Br)c1
InChIInChI=1S/C9H9BrN2O/c10-7-3-6(4-11-5-7)9(13)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,13)
InChIKeySYKDJEARKMRQGE-UHFFFAOYSA-N
XLogP1.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropylpyridine-3-carboxamide (CID 604228) is 5-bromo-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropylpyridine-3-carboxamide is O=C(NC1CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is SYKDJEARKMRQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O/c10-7-3-6(4-11-5-7)9(13)12-8-1-2-8/h3-5,8H,1-2H2,(H,12,13).
What are the key properties of 5-bromo-N-cyclopropylpyridine-3-carboxamide?
5-bromo-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 241.09 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 604228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).