2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide

C13H9BrFIN2O — CID 58431460

IUPAC2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(Br)ncc1Cc1ccc(I)cc1F
InChIInChI=1S/C13H9BrFIN2O/c14-12-5-10(13(17)19)8(6-18-12)3-7-1-2-9(16)4-11(7)15/h1-2,4-6H,3H2,(H2,17,19)
InChIKeyCSWSZIHMXOCKHD-UHFFFAOYSA-N
MW435.03 g/mol
LogP3.28
Rot. Bonds3

About 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide

2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (PubChem CID 58431460) has the molecular formula C13H9BrFIN2O and a molecular weight of 435.03 g/mol. Its IUPAC name is 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
PubChem CID58431460
Molecular FormulaC13H9BrFIN2O
Molecular Weight435.03 g/mol
Exact Mass433.89
IUPAC Name2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESNC(=O)c1cc(Br)ncc1Cc1ccc(I)cc1F
InChIInChI=1S/C13H9BrFIN2O/c14-12-5-10(13(17)19)8(6-18-12)3-7-1-2-9(16)4-11(7)15/h1-2,4-6H,3H2,(H2,17,19)
InChIKeyCSWSZIHMXOCKHD-UHFFFAOYSA-N
XLogP3.28
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.03
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
2,3-difluoro-5-iodobenzamide
CID 121345074
3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 58431576
N-[(1R)-1,2-dihydroxyethoxy]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 163863408
(4S)-1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58431489
1-(2-bromo-5-fluoro-4-pyridinyl)ethanone
CID 25222946
2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58146028
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanone
CID 58431569
3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide
CID 141254692
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(pyrrolidin-3-ylmethoxy)benzamide
CID 58196953
5-[[2-(ethylsulfamoylamino)-3-fluoro-4-pyridinyl]methyl]-4-fluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 156808768

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (CID 58431460) is 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is NC(=O)c1cc(Br)ncc1Cc1ccc(I)cc1F.
What is the InChIKey of 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is CSWSZIHMXOCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFIN2O/c14-12-5-10(13(17)19)8(6-18-12)3-7-1-2-9(16)4-11(7)15/h1-2,4-6H,3H2,(H2,17,19).
What are the key properties of 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 435.03 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 58431460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).