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

C13H9F2IN2O — CID 161217817

IUPAC3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESNC(=O)c1c(F)cncc1Cc1ccc(I)cc1F
InChIInChI=1S/C13H9F2IN2O/c14-10-4-9(16)2-1-7(10)3-8-5-18-6-11(15)12(8)13(17)19/h1-2,4-6H,3H2,(H2,17,19)
InChIKeyUXCLBHVFKIBCQF-UHFFFAOYSA-N
MW374.13 g/mol
LogP2.65
Rot. Bonds3

About 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide

3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (PubChem CID 161217817) has the molecular formula C13H9F2IN2O and a molecular weight of 374.13 g/mol. Its IUPAC name is 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
PubChem CID161217817
Molecular FormulaC13H9F2IN2O
Molecular Weight374.13 g/mol
Exact Mass373.97
IUPAC Name3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
SMILESNC(=O)c1c(F)cncc1Cc1ccc(I)cc1F
InChIInChI=1S/C13H9F2IN2O/c14-10-4-9(16)2-1-7(10)3-8-5-18-6-11(15)12(8)13(17)19/h1-2,4-6H,3H2,(H2,17,19)
InChIKeyUXCLBHVFKIBCQF-UHFFFAOYSA-N
XLogP2.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.13
LogP ≤ 52.65
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

2-[(5-amino-3-pyridinyl)oxy]-4-fluoro-6-[(2-fluoro-4-iodophenyl)methyl]benzamide
CID 58146028
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 58431460
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-[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
[(2R)-4-[2-carbamoyl-5-fluoro-3-[(2-fluoro-4-iodophenyl)methyl]phenoxy]-2-hydroxybutyl] methanesulfonate
CID 58145904
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanone
CID 58431558
4-fluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-(5-oxo-6-phenylhexoxy)benzamide
CID 58146047
3-(2-fluoro-4-iodophenyl)propanoic acid
CID 91883071

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide (CID 161217817) is 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is NC(=O)c1c(F)cncc1Cc1ccc(I)cc1F.
What is the InChIKey of 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is UXCLBHVFKIBCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2IN2O/c14-10-4-9(16)2-1-7(10)3-8-5-18-6-11(15)12(8)13(17)19/h1-2,4-6H,3H2,(H2,17,19).
What are the key properties of 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide?
3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide has a molecular weight of 374.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 161217817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).