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

C15H14BrN3O — CID 94800663

IUPAC2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-10(14(20)11-4-6-13(16)7-5-11)19-15-12(9-17)3-2-8-18-15/h2-8,10,14,20H,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyNFGCPJSEPVYXRL-IINYFYTJSA-N
MW332.20 g/mol
LogP3.25
Rot. Bonds4

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

2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile (PubChem CID 94800663) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
PubChem CID94800663
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(Br)cc1
InChIInChI=1S/C15H14BrN3O/c1-10(14(20)11-4-6-13(16)7-5-11)19-15-12(9-17)3-2-8-18-15/h2-8,10,14,20H,1H3,(H,18,19)/t10-,14+/m0/s1
InChIKeyNFGCPJSEPVYXRL-IINYFYTJSA-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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Related Compounds

2-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099693
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099692
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 133311512
2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]pyridine-3-carbonitrile
CID 95759520
2-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372296
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 93417245
3-[1-(4-bromophenyl)ethylamino]pyrazine-2-carbonitrile
CID 62673239
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile (CID 94800663) is 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile is C[C@H](Nc1ncccc1C#N)[C@@H](O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
The InChIKey is NFGCPJSEPVYXRL-IINYFYTJSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-10(14(20)11-4-6-13(16)7-5-11)19-15-12(9-17)3-2-8-18-15/h2-8,10,14,20H,1H3,(H,18,19)/t10-,14+/m0/s1.
What are the key properties of 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile?
2-[[(1S,2S)-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 2-[[(1S,2S)-1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 94800663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).