3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile

C10H11FN2O — CID 55275570

IUPAC3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
SMILESCC[C@@H](N)c1ccc(F)c(C#N)c1O
InChIInChI=1S/C10H11FN2O/c1-2-9(13)6-3-4-8(11)7(5-12)10(6)14/h3-4,9,14H,2,13H2,1H3/t9-/m1/s1
InChIKeySUFGIBNLZROAEB-SECBINFHSA-N
MW194.21 g/mol
LogP1.81
Rot. Bonds2

About 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile

3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile (PubChem CID 55275570) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
PubChem CID55275570
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile
SMILESCC[C@@H](N)c1ccc(F)c(C#N)c1O
InChIInChI=1S/C10H11FN2O/c1-2-9(13)6-3-4-8(11)7(5-12)10(6)14/h3-4,9,14H,2,13H2,1H3/t9-/m1/s1
InChIKeySUFGIBNLZROAEB-SECBINFHSA-N
XLogP1.81
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-2-hydroxybenzonitrile;hydrochloride
CID 171256065
3-[(1R)-1-amino-3-hydroxypropyl]-6-fluoro-2-hydroxybenzonitrile
CID 131525644
3-[(1S)-1-aminobut-3-enyl]-6-fluoro-2-hydroxybenzonitrile
CID 131623917
6-amino-3-[(1R)-1-aminopropyl]-2-fluorobenzonitrile
CID 55275072
4-(1-aminopropyl)-2-fluorobenzene-1,3-diol
CID 130062351
3,6-difluoro-2-hydroxybenzonitrile
CID 45083150
3-[(1S)-1-aminopropyl]-4-fluorobenzonitrile
CID 130742147
2-[(1S)-1-aminopropyl]-3,6-difluorophenol
CID 131195771
6-fluoro-2-hydroxy-3-methylbenzonitrile
CID 88974968
2-(1-aminopropyl)-3,6-dihydroxybenzonitrile
CID 130061973
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
(1R)-1-(4-chloro-2-fluorophenyl)propan-1-amine
CID 58878078

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile?
The IUPAC name of 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile (CID 55275570) is 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile.
What is the SMILES notation for 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile?
The canonical SMILES for 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile is CC[C@@H](N)c1ccc(F)c(C#N)c1O.
What is the InChIKey of 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile?
The InChIKey is SUFGIBNLZROAEB-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-2-9(13)6-3-4-8(11)7(5-12)10(6)14/h3-4,9,14H,2,13H2,1H3/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile?
3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile has a molecular weight of 194.21 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-aminopropyl]-6-fluoro-2-hydroxybenzonitrile is sourced from PubChem (CID 55275570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).