(2-chloro-6-propan-2-yl-3-pyridinyl)methanol

C9H12ClNO — CID 58333500

IUPAC(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1ccc(CO)c(Cl)n1
InChIInChI=1S/C9H12ClNO/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-4,6,12H,5H2,1-2H3
InChIKeyYULFWEVTUJSUIJ-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.35
Rot. Bonds2

About (2-chloro-6-propan-2-yl-3-pyridinyl)methanol

(2-chloro-6-propan-2-yl-3-pyridinyl)methanol (PubChem CID 58333500) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is (2-chloro-6-propan-2-yl-3-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
PubChem CID58333500
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name(2-chloro-6-propan-2-yl-3-pyridinyl)methanol
SMILESCC(C)c1ccc(CO)c(Cl)n1
InChIInChI=1S/C9H12ClNO/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-4,6,12H,5H2,1-2H3
InChIKeyYULFWEVTUJSUIJ-UHFFFAOYSA-N
XLogP2.35
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.35
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-propan-2-yl-3-pyridinyl)methanol?
The IUPAC name of (2-chloro-6-propan-2-yl-3-pyridinyl)methanol (CID 58333500) is (2-chloro-6-propan-2-yl-3-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-6-propan-2-yl-3-pyridinyl)methanol?
The canonical SMILES for (2-chloro-6-propan-2-yl-3-pyridinyl)methanol is CC(C)c1ccc(CO)c(Cl)n1.
What is the InChIKey of (2-chloro-6-propan-2-yl-3-pyridinyl)methanol?
The InChIKey is YULFWEVTUJSUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6(2)8-4-3-7(5-12)9(10)11-8/h3-4,6,12H,5H2,1-2H3.
What are the key properties of (2-chloro-6-propan-2-yl-3-pyridinyl)methanol?
(2-chloro-6-propan-2-yl-3-pyridinyl)methanol has a molecular weight of 185.65 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-propan-2-yl-3-pyridinyl)methanol is sourced from PubChem (CID 58333500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).