(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride

C7H9Cl2NO — CID 155820724

IUPAC(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride
SMILESCc1ccc(CO)c(Cl)n1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-5-2-3-6(4-10)7(8)9-5;/h2-3,10H,4H2,1H3;1H
InChIKeyHQLUKZCDXVBNSA-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.96
Rot. Bonds1

About (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride

(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride (PubChem CID 155820724) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride
PubChem CID155820724
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride
SMILESCc1ccc(CO)c(Cl)n1.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-5-2-3-6(4-10)7(8)9-5;/h2-3,10H,4H2,1H3;1H
InChIKeyHQLUKZCDXVBNSA-UHFFFAOYSA-N
XLogP1.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride (CID 155820724) is (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride is Cc1ccc(CO)c(Cl)n1.Cl.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride?
The InChIKey is HQLUKZCDXVBNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-5-2-3-6(4-10)7(8)9-5;/h2-3,10H,4H2,1H3;1H.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride?
(2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methyl-3-pyridinyl)methanol;hydrochloride is sourced from PubChem (CID 155820724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).