3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol

C14H14BrFN2O — CID 80525748

IUPAC3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2
InChIKeyQCDTTWFBNXLALO-UHFFFAOYSA-N
MW325.18 g/mol
LogP2.76
Rot. Bonds4

About 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol

3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol (PubChem CID 80525748) has the molecular formula C14H14BrFN2O and a molecular weight of 325.18 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
PubChem CID80525748
Molecular FormulaC14H14BrFN2O
Molecular Weight325.18 g/mol
Exact Mass324.03
IUPAC Name3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
SMILESNCC(c1ccncc1)C(O)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrFN2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2
InChIKeyQCDTTWFBNXLALO-UHFFFAOYSA-N
XLogP2.76
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.18
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(4-bromo-2-fluorophenyl)-2-phenylpropan-1-ol
CID 65186386
3-amino-1-(3-bromo-5-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525918
3-amino-1-(2,4-dichlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525799
2-(aminomethyl)-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 65185739
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
2-amino-1-(4-bromo-2-fluorophenyl)propane-1,3-diol
CID 66204529
3-amino-1-(4-chloro-2-methoxyphenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525805
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-1-(2,5-dibromophenyl)-2-phenylpropan-1-ol
CID 114376036

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol (CID 80525748) is 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol is NCC(c1ccncc1)C(O)c1ccc(Br)cc1F.
What is the InChIKey of 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
The InChIKey is QCDTTWFBNXLALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFN2O/c15-10-1-2-11(13(16)7-10)14(19)12(8-17)9-3-5-18-6-4-9/h1-7,12,14,19H,8,17H2.
What are the key properties of 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol?
3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol has a molecular weight of 325.18 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol is sourced from PubChem (CID 80525748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).