2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol

C13H13IN2O — CID 79162332

IUPAC2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccccc2I)n1
InChIInChI=1S/C13H13IN2O/c1-9-6-7-13(17)12(16-9)8-15-11-5-3-2-4-10(11)14/h2-7,15,17H,8H2,1H3
InChIKeyIZXPHRRCHGHYIJ-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.31
Rot. Bonds3

About 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol

2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79162332) has the molecular formula C13H13IN2O and a molecular weight of 340.16 g/mol. Its IUPAC name is 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79162332
Molecular FormulaC13H13IN2O
Molecular Weight340.16 g/mol
Exact Mass340.01
IUPAC Name2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccccc2I)n1
InChIInChI=1S/C13H13IN2O/c1-9-6-7-13(17)12(16-9)8-15-11-5-3-2-4-10(11)14/h2-7,15,17H,8H2,1H3
InChIKeyIZXPHRRCHGHYIJ-UHFFFAOYSA-N
XLogP3.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol (CID 79162332) is 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2ccccc2I)n1.
What is the InChIKey of 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is IZXPHRRCHGHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O/c1-9-6-7-13(17)12(16-9)8-15-11-5-3-2-4-10(11)14/h2-7,15,17H,8H2,1H3.
What are the key properties of 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol?
2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 340.16 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79162332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).