3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide

C12H8FIN2O — CID 141254692

IUPAC3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1-c1ccc(I)cc1F
InChIInChI=1S/C12H8FIN2O/c13-11-5-7(14)1-2-8(11)10-6-16-4-3-9(10)12(15)17/h1-6H,(H2,15,17)
InChIKeyVMLRLXAVJFOULY-UHFFFAOYSA-N
MW342.11 g/mol
LogP2.59
Rot. Bonds2

About 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide

3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide (PubChem CID 141254692) has the molecular formula C12H8FIN2O and a molecular weight of 342.11 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide
PubChem CID141254692
Molecular FormulaC12H8FIN2O
Molecular Weight342.11 g/mol
Exact Mass341.97
IUPAC Name3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide
SMILESNC(=O)c1ccncc1-c1ccc(I)cc1F
InChIInChI=1S/C12H8FIN2O/c13-11-5-7(14)1-2-8(11)10-6-16-4-3-9(10)12(15)17/h1-6H,(H2,15,17)
InChIKeyVMLRLXAVJFOULY-UHFFFAOYSA-N
XLogP2.59
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.11
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[3-(2-fluoro-4-iodoanilino)pyridine-4-carbonyl]amino]thiourea
CID 59026765
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817
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
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
2,3-difluoro-5-iodobenzamide
CID 121345074
4-(4-chloro-3-pyridinyl)-3-fluoroaniline
CID 163275681
(4S)-1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58431489
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 58431460
3-(4-carbamoyl-3-pyridinyl)-2-(dimethylamino)benzoic acid
CID 67107966

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide (CID 141254692) is 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide is NC(=O)c1ccncc1-c1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide?
The InChIKey is VMLRLXAVJFOULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FIN2O/c13-11-5-7(14)1-2-8(11)10-6-16-4-3-9(10)12(15)17/h1-6H,(H2,15,17).
What are the key properties of 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide?
3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide has a molecular weight of 342.11 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 141254692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).