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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Related Compounds

2-(4-Fluoro-6-methyl-1,2-dihydropyridin-3-yl)propan-2-ol
CID 126747595
(3Z)-7-fluoro-2,3-dimethyl-4-(methylamino)octa-3,5-dien-2-ol
CID 135245737
2-(4-Fluoro-1,2-dihydropyridin-3-yl)propan-2-ol
CID 176020165
(2S,3E,5E,7Z)-1,1,1-trifluoro-2,3-dimethyl-6-[1-(pentan-2-ylamino)ethenyl]nona-3,5,7-trien-2-ol
CID 143379479
1-(6-Methyl-1,2-dihydropyridin-3-yl)ethenol
CID 89985275
2-(2,6-Dimethyl-1,2-dihydropyridin-4-yl)propan-2-ol
CID 129170393
(3E,5Z)-5-[[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methyl]hepta-1,3,5-trien-4-ol
CID 155184988
6-Methyl-3-propan-2-yl-1,2-dihydropyridin-4-ol
CID 165106739
2-(1,2-Dihydropyridin-3-yl)propan-2-ol
CID 173131390
2-(4-Methyl-1,2-dihydropyridin-3-yl)propan-2-ol
CID 175925925
2-(1,2,3,6-Tetrahydropyridin-5-yl)propan-2-ol
CID 117205997

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).