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

C7H8ClNO — CID 22347497

IUPAC(2-chloro-6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(CO)c(Cl)n1
InChIInChI=1S/C7H8ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-3,10H,4H2,1H3
InChIKeyIUBGLKMRMBRXJY-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.54
Rot. Bonds1

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

(2-chloro-6-methyl-3-pyridinyl)methanol (PubChem CID 22347497) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is (2-chloro-6-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-methyl-3-pyridinyl)methanol
PubChem CID22347497
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name(2-chloro-6-methyl-3-pyridinyl)methanol
SMILESCc1ccc(CO)c(Cl)n1
InChIInChI=1S/C7H8ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-3,10H,4H2,1H3
InChIKeyIUBGLKMRMBRXJY-UHFFFAOYSA-N
XLogP1.54
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.54
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?
The IUPAC name of (2-chloro-6-methyl-3-pyridinyl)methanol (CID 22347497) is (2-chloro-6-methyl-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-6-methyl-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-6-methyl-3-pyridinyl)methanol is Cc1ccc(CO)c(Cl)n1.
What is the InChIKey of (2-chloro-6-methyl-3-pyridinyl)methanol?
The InChIKey is IUBGLKMRMBRXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-5-2-3-6(4-10)7(8)9-5/h2-3,10H,4H2,1H3.
What are the key properties of (2-chloro-6-methyl-3-pyridinyl)methanol?
(2-chloro-6-methyl-3-pyridinyl)methanol has a molecular weight of 157.60 g/mol, XLogP of 1.54, 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 is sourced from PubChem (CID 22347497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).