(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol

C9H12FNO — CID 124567765

IUPAC(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
SMILESCC(C)(F)[C@@H](O)c1cccnc1
InChIInChI=1S/C9H12FNO/c1-9(2,10)8(12)7-4-3-5-11-6-7/h3-6,8,12H,1-2H3/t8-/m0/s1
InChIKeyDFDAFCYIPFKJRP-QMMMGPOBSA-N
MW169.20 g/mol
LogP1.86
Rot. Bonds2

About (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol

(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol (PubChem CID 124567765) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
PubChem CID124567765
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol
SMILESCC(C)(F)[C@@H](O)c1cccnc1
InChIInChI=1S/C9H12FNO/c1-9(2,10)8(12)7-4-3-5-11-6-7/h3-6,8,12H,1-2H3/t8-/m0/s1
InChIKeyDFDAFCYIPFKJRP-QMMMGPOBSA-N
XLogP1.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-2-methyl-1-pyridin-3-ylbutan-1-ol
CID 79064377
2-amino-3,3-dimethyl-1-pyridin-3-ylbutan-1-ol
CID 164650292
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
N-[(1R)-2,2,2-trifluoro-1-pyridin-3-ylethyl]hydroxylamine
CID 131036778
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
pyridin-3-yl-[4-(trifluoromethoxy)phenyl]methanol
CID 63895689
1-pyridin-3-ylethyl trifluoromethanesulfonate
CID 102621653
pyridin-3-yl(pyrimidin-2-yl)methanol
CID 54244340
4-fluoro-2-methyl-4-pyridin-3-ylbutan-2-amine
CID 130538853

Frequently Asked Questions

What is the IUPAC name of (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol (CID 124567765) is (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol is CC(C)(F)[C@@H](O)c1cccnc1.
What is the InChIKey of (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is DFDAFCYIPFKJRP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FNO/c1-9(2,10)8(12)7-4-3-5-11-6-7/h3-6,8,12H,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol?
(1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-fluoro-2-methyl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 124567765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).