5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide

C7H4F3IN2O — CID 130865841

IUPAC5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C7H4F3IN2O/c8-7(9,10)5-1-3(6(12)14)4(11)2-13-5/h1-2H,(H2,12,14)
InChIKeyGMZNEZLCYMBIRV-UHFFFAOYSA-N
MW316.02 g/mol
LogP1.80
Rot. Bonds1

About 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide

5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 130865841) has the molecular formula C7H4F3IN2O and a molecular weight of 316.02 g/mol. Its IUPAC name is 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID130865841
Molecular FormulaC7H4F3IN2O
Molecular Weight316.02 g/mol
Exact Mass315.93
IUPAC Name5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESNC(=O)c1cc(C(F)(F)F)ncc1I
InChIInChI=1S/C7H4F3IN2O/c8-7(9,10)5-1-3(6(12)14)4(11)2-13-5/h1-2H,(H2,12,14)
InChIKeyGMZNEZLCYMBIRV-UHFFFAOYSA-N
XLogP1.80
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.02
LogP ≤ 51.80
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-ethyl-5-iodo-2-(trifluoromethyl)pyridin-4-amine
CID 69166924
5-borono-2-(trifluoromethyl)pyridine-4-carboxylic acid
CID 91882810
5-iodo-4-nitro-2-(trifluoromethyl)pyridine
CID 130782981
1-[5-bromo-2-(trifluoromethyl)-4-pyridinyl]-2,2,2-trifluoroethanone;hydrate
CID 131699636
5-iodo-4-methoxy-2-(trifluoromethyl)pyridine
CID 121228606
4-(aminomethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 141441781
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
2-bromo-4-iodo-3-(trifluoromethyl)benzamide
CID 171002470
methyl 5-(difluoromethyl)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134664339
2-(trifluoromethyl)pyridine-3-carboxamide
CID 6425058
2,6-bis(trifluoromethyl)quinoline-4-carboxamide
CID 97054560
[4-amino-6-(trifluoromethyl)-3-pyridinyl]carbamic acid
CID 126664814

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide (CID 130865841) is 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide is NC(=O)c1cc(C(F)(F)F)ncc1I.
What is the InChIKey of 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is GMZNEZLCYMBIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3IN2O/c8-7(9,10)5-1-3(6(12)14)4(11)2-13-5/h1-2H,(H2,12,14).
What are the key properties of 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide?
5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 316.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 130865841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).