2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol

C9H14FNO — CID 126747591

IUPAC2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
SMILESCC1=CC=C(C(C)(C)O)C(F)N1
InChIInChI=1S/C9H14FNO/c1-6-4-5-7(8(10)11-6)9(2,3)12/h4-5,8,11-12H,1-3H3
InChIKeyJWLLYURTHKHWFQ-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.49
Rot. Bonds1

About 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol

2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol (PubChem CID 126747591) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
PubChem CID126747591
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
SMILESCC1=CC=C(C(C)(C)O)C(F)N1
InChIInChI=1S/C9H14FNO/c1-6-4-5-7(8(10)11-6)9(2,3)12/h4-5,8,11-12H,1-3H3
InChIKeyJWLLYURTHKHWFQ-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The IUPAC name of 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol (CID 126747591) is 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol is CC1=CC=C(C(C)(C)O)C(F)N1.
What is the InChIKey of 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The InChIKey is JWLLYURTHKHWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6-4-5-7(8(10)11-6)9(2,3)12/h4-5,8,11-12H,1-3H3.
What are the key properties of 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol has a molecular weight of 171.22 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol is sourced from PubChem (CID 126747591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).