N-(1-methylpyridin-1-ium-3-yl)formamide iodide

C7H9IN2O — CID 87858375

IUPACN-(1-methylpyridin-1-ium-3-yl)formamide iodide
SMILESC[n+]1cccc(NC=O)c1.[I-]
InChIInChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(5-9)8-6-10;/h2-6H,1H3;1H
InChIKeyQLFCYWPSRHOWJA-UHFFFAOYSA-N
MW264.07 g/mol
LogP-2.92
Rot. Bonds2

About N-(1-methylpyridin-1-ium-3-yl)formamide iodide

N-(1-methylpyridin-1-ium-3-yl)formamide iodide (PubChem CID 87858375) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is N-(1-methylpyridin-1-ium-3-yl)formamide iodide.

Molecular Properties

Compound NameN-(1-methylpyridin-1-ium-3-yl)formamide iodide
PubChem CID87858375
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC NameN-(1-methylpyridin-1-ium-3-yl)formamide iodide
SMILESC[n+]1cccc(NC=O)c1.[I-]
InChIInChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(5-9)8-6-10;/h2-6H,1H3;1H
InChIKeyQLFCYWPSRHOWJA-UHFFFAOYSA-N
XLogP-2.92
TPSA32.98 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 5-2.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-Aminopyridine
CID 10009
1-Pyridin-3-yl-1,4-diazepane
CID 10654891
N-Pyridin-4-ylacetamide
CID 21288
3-Phenyl-1-(pyridin-3-yl)urea
CID 674807
3-Acetamidopyridine
CID 79978
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757
ethyl N-(pyridin-3-yl)carbamate
CID 235275
1-(Pyridin-3-yl)piperazine
CID 437234
1-Methyl-4-(pyridin-3-yl)piperazine
CID 10058072
4-(Methylamino)pyridine
CID 123098
(2-Aminoethyl)(pyridin-2-ylmethyl)amine
CID 12677274
1-(Pyridin-3-yl)-1,5-diazocane
CID 11499356

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyridin-1-ium-3-yl)formamide iodide?
The IUPAC name of N-(1-methylpyridin-1-ium-3-yl)formamide iodide (CID 87858375) is N-(1-methylpyridin-1-ium-3-yl)formamide iodide.
What is the SMILES notation for N-(1-methylpyridin-1-ium-3-yl)formamide iodide?
The canonical SMILES for N-(1-methylpyridin-1-ium-3-yl)formamide iodide is C[n+]1cccc(NC=O)c1.[I-].
What is the InChIKey of N-(1-methylpyridin-1-ium-3-yl)formamide iodide?
The InChIKey is QLFCYWPSRHOWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.HI/c1-9-4-2-3-7(5-9)8-6-10;/h2-6H,1H3;1H.
What are the key properties of N-(1-methylpyridin-1-ium-3-yl)formamide iodide?
N-(1-methylpyridin-1-ium-3-yl)formamide iodide has a molecular weight of 264.07 g/mol, XLogP of -2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyridin-1-ium-3-yl)formamide iodide is sourced from PubChem (CID 87858375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).