5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

C11H12BrClN4 — CID 103582451

IUPAC5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyKROOQXUOQCDCAU-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.19
Rot. Bonds4

About 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine

5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (PubChem CID 103582451) has the molecular formula C11H12BrClN4 and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
PubChem CID103582451
Molecular FormulaC11H12BrClN4
Molecular Weight315.60 g/mol
Exact Mass313.99
IUPAC Name5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
SMILESCC(Cn1ccnc1)Nc1ncc(Br)cc1Cl
InChIInChI=1S/C11H12BrClN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16)
InChIKeyKROOQXUOQCDCAU-UHFFFAOYSA-N
XLogP3.19
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
5-bromo-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 79076506
N-[(4-bromo-2-chlorophenyl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 115652117
5-chloro-2-N-ethyl-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80802503
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
5-bromo-3-chloro-N-(1-ethylsulfanylpropan-2-yl)pyridin-2-amine
CID 103582641
5-bromo-3-chloro-N-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681252
5-bromo-3-chloro-N-[(2S)-1-[(R)-methylsulfinyl]propan-2-yl]pyridin-2-amine
CID 124681216
2-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyrimidin-4-amine
CID 62341885

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine (CID 103582451) is 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is CC(Cn1ccnc1)Nc1ncc(Br)cc1Cl.
What is the InChIKey of 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
The InChIKey is KROOQXUOQCDCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClN4/c1-8(6-17-3-2-14-7-17)16-11-10(13)4-9(12)5-15-11/h2-5,7-8H,6H2,1H3,(H,15,16).
What are the key properties of 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine?
5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine has a molecular weight of 315.60 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 103582451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).