N-iodo-1-pyridin-3-ylmethanamine

C6H7IN2 — CID 89297492

IUPACN-iodo-1-pyridin-3-ylmethanamine
SMILESINCc1cccnc1
InChIInChI=1S/C6H7IN2/c7-9-5-6-2-1-3-8-4-6/h1-4,9H,5H2
InChIKeyHRAHDHUFOZAYQO-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.52
Rot. Bonds2

About N-iodo-1-pyridin-3-ylmethanamine

N-iodo-1-pyridin-3-ylmethanamine (PubChem CID 89297492) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is N-iodo-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-iodo-1-pyridin-3-ylmethanamine
PubChem CID89297492
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC NameN-iodo-1-pyridin-3-ylmethanamine
SMILESINCc1cccnc1
InChIInChI=1S/C6H7IN2/c7-9-5-6-2-1-3-8-4-6/h1-4,9H,5H2
InChIKeyHRAHDHUFOZAYQO-UHFFFAOYSA-N
XLogP1.52
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.04
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-(pyridin-3-ylmethyl)propan-1-amine;yttrium
CID 59057937
N-(pyridin-3-ylmethyl)prop-2-en-1-amine
CID 4717881
N-(pyridin-3-ylmethyl)carbamate
CID 19082872
bis(pyridin-3-ylmethyl)azanium
CID 6946562
3-ethylpyridine
CID 10823
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of N-iodo-1-pyridin-3-ylmethanamine?
The IUPAC name of N-iodo-1-pyridin-3-ylmethanamine (CID 89297492) is N-iodo-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-iodo-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-iodo-1-pyridin-3-ylmethanamine is INCc1cccnc1.
What is the InChIKey of N-iodo-1-pyridin-3-ylmethanamine?
The InChIKey is HRAHDHUFOZAYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c7-9-5-6-2-1-3-8-4-6/h1-4,9H,5H2.
What are the key properties of N-iodo-1-pyridin-3-ylmethanamine?
N-iodo-1-pyridin-3-ylmethanamine has a molecular weight of 234.04 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 89297492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).