3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol

C9H12F2N2O — CID 164650622

IUPAC3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1c(F)cncc1F
InChIInChI=1S/C9H12F2N2O/c1-5(2-12)9(14)8-6(10)3-13-4-7(8)11/h3-5,9,14H,2,12H2,1H3
InChIKeyREYRRSKXXGJTIP-UHFFFAOYSA-N
MW202.20 g/mol
LogP0.99
Rot. Bonds3

About 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol

3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol (PubChem CID 164650622) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol
PubChem CID164650622
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol
SMILESCC(CN)C(O)c1c(F)cncc1F
InChIInChI=1S/C9H12F2N2O/c1-5(2-12)9(14)8-6(10)3-13-4-7(8)11/h3-5,9,14H,2,12H2,1H3
InChIKeyREYRRSKXXGJTIP-UHFFFAOYSA-N
XLogP0.99
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
3-amino-1-(2-fluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 65434086
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
2-amino-2-(3,5-difluoro-4-pyridinyl)ethanol;dihydrochloride
CID 162344202
3-amino-1-(3-chloro-4-pyridinyl)-2-methylpropan-1-ol
CID 165445125
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
3-ethyl-5-fluoro-4-propan-2-ylpyridine
CID 146392473
3-amino-2-methyl-1-pyrimidin-4-ylpropan-1-ol
CID 79124586
3-amino-1-(1,4-dimethylpyrazol-5-yl)-2-methylpropan-1-ol
CID 130604592
3-amino-1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-ol
CID 83690027
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
5-fluoro-4-propan-2-ylpyridine-3-carboxylic acid
CID 84658926

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol?
The IUPAC name of 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol (CID 164650622) is 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol is CC(CN)C(O)c1c(F)cncc1F.
What is the InChIKey of 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol?
The InChIKey is REYRRSKXXGJTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c1-5(2-12)9(14)8-6(10)3-13-4-7(8)11/h3-5,9,14H,2,12H2,1H3.
What are the key properties of 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol?
3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol has a molecular weight of 202.20 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-ol is sourced from PubChem (CID 164650622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).