2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

C11H10BrN3O — CID 106384629

IUPAC2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccnc(Br)c1
InChIInChI=1S/C11H10BrN3O/c12-10-5-9(2-4-14-10)11(16)15-7-8-1-3-13-6-8/h1-6,13H,7H2,(H,15,16)
InChIKeyBXQIEYBVAKZFGP-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.10
Rot. Bonds3

About 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 106384629) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
PubChem CID106384629
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1cc[nH]c1)c1ccnc(Br)c1
InChIInChI=1S/C11H10BrN3O/c12-10-5-9(2-4-14-10)11(16)15-7-8-1-3-13-6-8/h1-6,13H,7H2,(H,15,16)
InChIKeyBXQIEYBVAKZFGP-UHFFFAOYSA-N
XLogP2.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384825
2-bromo-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 103752408
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
3-bromo-4-chloro-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106385065
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
3-bromo-4-methoxy-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 114181973
2-bromo-N-(1H-imidazol-5-ylmethyl)pyridine-4-carboxamide
CID 103755502
2-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 103753941
2-bromo-N-[[3-(methoxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 103752430
2-bromo-N-(1,3-thiazol-4-ylmethyl)pyridine-4-carboxamide
CID 103755038
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
4-bromo-N-(1H-pyrrol-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106385056

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (CID 106384629) is 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is O=C(NCc1cc[nH]c1)c1ccnc(Br)c1.
What is the InChIKey of 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is BXQIEYBVAKZFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-10-5-9(2-4-14-10)11(16)15-7-8-1-3-13-6-8/h1-6,13H,7H2,(H,15,16).
What are the key properties of 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 280.12 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106384629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).