3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol

C13H12ClIN2O — CID 166376814

IUPAC3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1nccc(Cl)c1I
InChIInChI=1S/C13H12ClIN2O/c1-17(8-9-3-2-4-10(18)7-9)13-12(15)11(14)5-6-16-13/h2-7,18H,8H2,1H3
InChIKeyCMVPQFHJQQJPDG-UHFFFAOYSA-N
MW374.61 g/mol
LogP3.68
Rot. Bonds3

About 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol

3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol (PubChem CID 166376814) has the molecular formula C13H12ClIN2O and a molecular weight of 374.61 g/mol. Its IUPAC name is 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol
PubChem CID166376814
Molecular FormulaC13H12ClIN2O
Molecular Weight374.61 g/mol
Exact Mass373.97
IUPAC Name3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1nccc(Cl)c1I
InChIInChI=1S/C13H12ClIN2O/c1-17(8-9-3-2-4-10(18)7-9)13-12(15)11(14)5-6-16-13/h2-7,18H,8H2,1H3
InChIKeyCMVPQFHJQQJPDG-UHFFFAOYSA-N
XLogP3.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.61
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol?
The IUPAC name of 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol (CID 166376814) is 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol.
What is the SMILES notation for 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol?
The canonical SMILES for 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol is CN(Cc1cccc(O)c1)c1nccc(Cl)c1I.
What is the InChIKey of 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol?
The InChIKey is CMVPQFHJQQJPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN2O/c1-17(8-9-3-2-4-10(18)7-9)13-12(15)11(14)5-6-16-13/h2-7,18H,8H2,1H3.
What are the key properties of 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol?
3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol has a molecular weight of 374.61 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol is sourced from PubChem (CID 166376814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).