(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide

C7H12INO — CID 175323908

IUPAC(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide
SMILESCN1C=CC=CC1CO.I
InChIInChI=1S/C7H11NO.HI/c1-8-5-3-2-4-7(8)6-9;/h2-5,7,9H,6H2,1H3;1H
InChIKeyYQMWXKANSHFPBD-UHFFFAOYSA-N
MW253.08 g/mol
LogP0.98
Rot. Bonds1

About (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide

(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide (PubChem CID 175323908) has the molecular formula C7H12INO and a molecular weight of 253.08 g/mol. Its IUPAC name is (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide.

Molecular Properties

Compound Name(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide
PubChem CID175323908
Molecular FormulaC7H12INO
Molecular Weight253.08 g/mol
Exact Mass253.00
IUPAC Name(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide
SMILESCN1C=CC=CC1CO.I
InChIInChI=1S/C7H11NO.HI/c1-8-5-3-2-4-7(8)6-9;/h2-5,7,9H,6H2,1H3;1H
InChIKeyYQMWXKANSHFPBD-UHFFFAOYSA-N
XLogP0.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.08
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide?
The IUPAC name of (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide (CID 175323908) is (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide.
What is the SMILES notation for (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide?
The canonical SMILES for (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide is CN1C=CC=CC1CO.I.
What is the InChIKey of (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide?
The InChIKey is YQMWXKANSHFPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.HI/c1-8-5-3-2-4-7(8)6-9;/h2-5,7,9H,6H2,1H3;1H.
What are the key properties of (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide?
(1-methyl-2H-pyridin-2-yl)methanol;hydroiodide has a molecular weight of 253.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2H-pyridin-2-yl)methanol;hydroiodide is sourced from PubChem (CID 175323908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).