6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile

C15H14BrN3O — CID 51099692

IUPAC6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-10(15(20)12-3-5-13(16)6-4-12)19-14-7-2-11(8-17)9-18-14/h2-7,9-10,15,20H,1H3,(H,18,19)
InChIKeyFHNAFUNYKXPJBQ-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.25
Rot. Bonds4

About 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile

6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 51099692) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID51099692
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)cn1)C(O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-10(15(20)12-3-5-13(16)6-4-12)19-14-7-2-11(8-17)9-18-14/h2-7,9-10,15,20H,1H3,(H,18,19)
InChIKeyFHNAFUNYKXPJBQ-UHFFFAOYSA-N
XLogP3.25
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile (CID 51099692) is 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile is CC(Nc1ccc(C#N)cn1)C(O)c1ccc(Br)cc1.
What is the InChIKey of 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is FHNAFUNYKXPJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10(15(20)12-3-5-13(16)6-4-12)19-14-7-2-11(8-17)9-18-14/h2-7,9-10,15,20H,1H3,(H,18,19).
What are the key properties of 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile has a molecular weight of 332.20 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51099692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).