5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile

C9H8BrN3 — CID 76848506

IUPAC5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NC1CC1
InChIInChI=1S/C9H8BrN3/c10-7-3-6(4-11)9(12-5-7)13-8-1-2-8/h3,5,8H,1-2H2,(H,12,13)
InChIKeyYQHPQIVWSNBHOG-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.29
Rot. Bonds2

About 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile

5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile (PubChem CID 76848506) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
PubChem CID76848506
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NC1CC1
InChIInChI=1S/C9H8BrN3/c10-7-3-6(4-11)9(12-5-7)13-8-1-2-8/h3,5,8H,1-2H2,(H,12,13)
InChIKeyYQHPQIVWSNBHOG-UHFFFAOYSA-N
XLogP2.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile (CID 76848506) is 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1NC1CC1.
What is the InChIKey of 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile?
The InChIKey is YQHPQIVWSNBHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-3-6(4-11)9(12-5-7)13-8-1-2-8/h3,5,8H,1-2H2,(H,12,13).
What are the key properties of 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile?
5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile has a molecular weight of 238.09 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 76848506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).