N-(iodomethyl)pyridin-4-amine

C6H7IN2 — CID 153167423

IUPACN-(iodomethyl)pyridin-4-amine
SMILESICNc1ccncc1
InChIInChI=1S/C6H7IN2/c7-5-9-6-1-3-8-4-2-6/h1-4H,5H2,(H,8,9)
InChIKeyWDNPQEPBENJGJG-UHFFFAOYSA-N
MW234.04 g/mol
LogP1.89
Rot. Bonds2

About N-(iodomethyl)pyridin-4-amine

N-(iodomethyl)pyridin-4-amine (PubChem CID 153167423) has the molecular formula C6H7IN2 and a molecular weight of 234.04 g/mol. Its IUPAC name is N-(iodomethyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(iodomethyl)pyridin-4-amine
PubChem CID153167423
Molecular FormulaC6H7IN2
Molecular Weight234.04 g/mol
Exact Mass233.97
IUPAC NameN-(iodomethyl)pyridin-4-amine
SMILESICNc1ccncc1
InChIInChI=1S/C6H7IN2/c7-5-9-6-1-3-8-4-2-6/h1-4H,5H2,(H,8,9)
InChIKeyWDNPQEPBENJGJG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-4-ylheptane-1,7-diamine
CID 23645208
3-(pyridin-4-ylamino)propyl hypoiodite
CID 143003434
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
N-(4-chlorobutyl)pyridin-4-amine
CID 106845129
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
N-[(5-methylthiophen-2-yl)methyl]pyridin-4-amine
CID 62057971
N-(2-methylbutyl)pyridin-4-amine
CID 62693960
N'-propan-2-yl-N-pyridin-4-ylethane-1,2-diamine
CID 62662678
N-propyl-N'-pyridin-4-ylethane-1,2-diamine
CID 62664105
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
4-(pyridin-4-ylamino)butan-2-one
CID 89125446

Frequently Asked Questions

What is the IUPAC name of N-(iodomethyl)pyridin-4-amine?
The IUPAC name of N-(iodomethyl)pyridin-4-amine (CID 153167423) is N-(iodomethyl)pyridin-4-amine.
What is the SMILES notation for N-(iodomethyl)pyridin-4-amine?
The canonical SMILES for N-(iodomethyl)pyridin-4-amine is ICNc1ccncc1.
What is the InChIKey of N-(iodomethyl)pyridin-4-amine?
The InChIKey is WDNPQEPBENJGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2/c7-5-9-6-1-3-8-4-2-6/h1-4H,5H2,(H,8,9).
What are the key properties of N-(iodomethyl)pyridin-4-amine?
N-(iodomethyl)pyridin-4-amine has a molecular weight of 234.04 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodomethyl)pyridin-4-amine is sourced from PubChem (CID 153167423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).