3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol

C9H10ClNO2 — CID 90202624

IUPAC3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol
SMILESCc1ccc(C2(O)COC2)c(Cl)n1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(8(10)11-6)9(12)4-13-5-9/h2-3,12H,4-5H2,1H3
InChIKeyBAHNLNXIALECPF-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.26
Rot. Bonds1

About 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol

3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol (PubChem CID 90202624) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol.

Molecular Properties

Compound Name3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol
PubChem CID90202624
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol
SMILESCc1ccc(C2(O)COC2)c(Cl)n1
InChIInChI=1S/C9H10ClNO2/c1-6-2-3-7(8(10)11-6)9(12)4-13-5-9/h2-3,12H,4-5H2,1H3
InChIKeyBAHNLNXIALECPF-UHFFFAOYSA-N
XLogP1.26
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.26
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 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol?
The IUPAC name of 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol (CID 90202624) is 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol.
What is the SMILES notation for 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol?
The canonical SMILES for 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol is Cc1ccc(C2(O)COC2)c(Cl)n1.
What is the InChIKey of 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol?
The InChIKey is BAHNLNXIALECPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2/c1-6-2-3-7(8(10)11-6)9(12)4-13-5-9/h2-3,12H,4-5H2,1H3.
What are the key properties of 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol?
3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol has a molecular weight of 199.64 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-methyl-3-pyridinyl)oxetan-3-ol is sourced from PubChem (CID 90202624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).