3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

C15H11F4IN2O — CID 58431576

IUPAC3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccncc1Cc1ccc(I)cc1F
InChIInChI=1S/C15H11F4IN2O/c16-13-6-11(20)2-1-9(13)5-10-7-21-4-3-12(10)14(23)22-8-15(17,18)19/h1-4,6-7H,5,8H2,(H,22,23)
InChIKeyYSMWAVLBFCEPGH-UHFFFAOYSA-N
MW438.16 g/mol
LogP3.71
Rot. Bonds4

About 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide

3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (PubChem CID 58431576) has the molecular formula C15H11F4IN2O and a molecular weight of 438.16 g/mol. Its IUPAC name is 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
PubChem CID58431576
Molecular FormulaC15H11F4IN2O
Molecular Weight438.16 g/mol
Exact Mass437.99
IUPAC Name3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
SMILESO=C(NCC(F)(F)F)c1ccncc1Cc1ccc(I)cc1F
InChIInChI=1S/C15H11F4IN2O/c16-13-6-11(20)2-1-9(13)5-10-7-21-4-3-12(10)14(23)22-8-15(17,18)19/h1-4,6-7H,5,8H2,(H,22,23)
InChIKeyYSMWAVLBFCEPGH-UHFFFAOYSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.16
LogP ≤ 53.71
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

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
1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanone
CID 58431558
N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide;N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 159528212
3-[(4-iodo-2-methylphenyl)methyl]-N-methylsulfonylpyridine-4-carboxamide
CID 58431453
3-fluoro-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 161217817
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-(3-amino-2,2-difluoropropyl)-3-fluoropyridine-4-carboxamide
CID 114383432
1-(3-fluoro-4-pyridinyl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 116588590
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
2-bromo-5-[(2-fluoro-4-iodophenyl)methyl]pyridine-4-carboxamide
CID 58431460

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The IUPAC name of 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide (CID 58431576) is 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is O=C(NCC(F)(F)F)c1ccncc1Cc1ccc(I)cc1F.
What is the InChIKey of 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
The InChIKey is YSMWAVLBFCEPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4IN2O/c16-13-6-11(20)2-1-9(13)5-10-7-21-4-3-12(10)14(23)22-8-15(17,18)19/h1-4,6-7H,5,8H2,(H,22,23).
What are the key properties of 3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide?
3-[(2-fluoro-4-iodophenyl)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide has a molecular weight of 438.16 g/mol, XLogP of 3.71, 4 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)methyl]-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 58431576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).