(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol

C9H12ClNO2 — CID 59504182

IUPAC(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
SMILESCC(C)Oc1ccc(CO)nc1Cl
InChIInChI=1S/C9H12ClNO2/c1-6(2)13-8-4-3-7(5-12)11-9(8)10/h3-4,6,12H,5H2,1-2H3
InChIKeyLTBSWCYSWHGRJD-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.01
Rot. Bonds3

About (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol

(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol (PubChem CID 59504182) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
PubChem CID59504182
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol
SMILESCC(C)Oc1ccc(CO)nc1Cl
InChIInChI=1S/C9H12ClNO2/c1-6(2)13-8-4-3-7(5-12)11-9(8)10/h3-4,6,12H,5H2,1-2H3
InChIKeyLTBSWCYSWHGRJD-UHFFFAOYSA-N
XLogP2.01
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol?
The IUPAC name of (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol (CID 59504182) is (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol.
What is the SMILES notation for (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol?
The canonical SMILES for (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol is CC(C)Oc1ccc(CO)nc1Cl.
What is the InChIKey of (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol?
The InChIKey is LTBSWCYSWHGRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6(2)13-8-4-3-7(5-12)11-9(8)10/h3-4,6,12H,5H2,1-2H3.
What are the key properties of (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol?
(6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol has a molecular weight of 201.65 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-5-propan-2-yloxy-2-pyridinyl)methanol is sourced from PubChem (CID 59504182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).