(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol

C9H12ClNO2 — CID 155700206

IUPAC(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol
SMILESCc1cc(Cl)nc(OC[C@@H](C)O)c1
InChIInChI=1S/C9H12ClNO2/c1-6-3-8(10)11-9(4-6)13-5-7(2)12/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChIKeyPSHKJWZEAFPOEK-SSDOTTSWSA-N
MW201.65 g/mol
LogP1.80
Rot. Bonds3

About (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol

(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol (PubChem CID 155700206) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol
PubChem CID155700206
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol
SMILESCc1cc(Cl)nc(OC[C@@H](C)O)c1
InChIInChI=1S/C9H12ClNO2/c1-6-3-8(10)11-9(4-6)13-5-7(2)12/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1
InChIKeyPSHKJWZEAFPOEK-SSDOTTSWSA-N
XLogP1.80
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 ≤ 51.80
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 (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol?
The IUPAC name of (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol (CID 155700206) is (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol is Cc1cc(Cl)nc(OC[C@@H](C)O)c1.
What is the InChIKey of (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol?
The InChIKey is PSHKJWZEAFPOEK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6-3-8(10)11-9(4-6)13-5-7(2)12/h3-4,7,12H,5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol?
(2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol has a molecular weight of 201.65 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-chloro-4-methyl-2-pyridinyl)oxy]propan-2-ol is sourced from PubChem (CID 155700206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).