2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol

C9H14FNO — CID 126747595

IUPAC2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
SMILESCC1=CC(F)=C(C(C)(C)O)CN1
InChIInChI=1S/C9H14FNO/c1-6-4-8(10)7(5-11-6)9(2,3)12/h4,11-12H,5H2,1-3H3
InChIKeyQOEAESXBQMFUJU-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.49
Rot. Bonds1

About 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol

2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol (PubChem CID 126747595) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
PubChem CID126747595
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
SMILESCC1=CC(F)=C(C(C)(C)O)CN1
InChIInChI=1S/C9H14FNO/c1-6-4-8(10)7(5-11-6)9(2,3)12/h4,11-12H,5H2,1-3H3
InChIKeyQOEAESXBQMFUJU-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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The IUPAC name of 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol (CID 126747595) is 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The canonical SMILES for 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol is CC1=CC(F)=C(C(C)(C)O)CN1.
What is the InChIKey of 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
The InChIKey is QOEAESXBQMFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-6-4-8(10)7(5-11-6)9(2,3)12/h4,11-12H,5H2,1-3H3.
What are the key properties of 2-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol?
2-(4-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-(4-fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol is sourced from PubChem (CID 126747595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).