1-chloro-3-methyl-2H-pyridin-2-ol

C6H8ClNO — CID 91516559

IUPAC1-chloro-3-methyl-2H-pyridin-2-ol
SMILESCC1=CC=CN(Cl)C1O
InChIInChI=1S/C6H8ClNO/c1-5-3-2-4-8(7)6(5)9/h2-4,6,9H,1H3
InChIKeyKHKTXLGCQCDMHL-UHFFFAOYSA-N
MW145.59 g/mol
LogP1.23
Rot. Bonds

About 1-chloro-3-methyl-2H-pyridin-2-ol

1-chloro-3-methyl-2H-pyridin-2-ol (PubChem CID 91516559) has the molecular formula C6H8ClNO and a molecular weight of 145.59 g/mol. Its IUPAC name is 1-chloro-3-methyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name1-chloro-3-methyl-2H-pyridin-2-ol
PubChem CID91516559
Molecular FormulaC6H8ClNO
Molecular Weight145.59 g/mol
Exact Mass145.03
IUPAC Name1-chloro-3-methyl-2H-pyridin-2-ol
SMILESCC1=CC=CN(Cl)C1O
InChIInChI=1S/C6H8ClNO/c1-5-3-2-4-8(7)6(5)9/h2-4,6,9H,1H3
InChIKeyKHKTXLGCQCDMHL-UHFFFAOYSA-N
XLogP1.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methyl-2H-pyridin-2-ol?
The IUPAC name of 1-chloro-3-methyl-2H-pyridin-2-ol (CID 91516559) is 1-chloro-3-methyl-2H-pyridin-2-ol.
What is the SMILES notation for 1-chloro-3-methyl-2H-pyridin-2-ol?
The canonical SMILES for 1-chloro-3-methyl-2H-pyridin-2-ol is CC1=CC=CN(Cl)C1O.
What is the InChIKey of 1-chloro-3-methyl-2H-pyridin-2-ol?
The InChIKey is KHKTXLGCQCDMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClNO/c1-5-3-2-4-8(7)6(5)9/h2-4,6,9H,1H3.
What are the key properties of 1-chloro-3-methyl-2H-pyridin-2-ol?
1-chloro-3-methyl-2H-pyridin-2-ol has a molecular weight of 145.59 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methyl-2H-pyridin-2-ol is sourced from PubChem (CID 91516559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).