5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile

C10H11BrN4 — CID 76848539

IUPAC5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NC1CCNC1
InChIInChI=1S/C10H11BrN4/c11-8-3-7(4-12)10(14-5-8)15-9-1-2-13-6-9/h3,5,9,13H,1-2,6H2,(H,14,15)
InChIKeyQZDKXEFFZFERJK-UHFFFAOYSA-N
MW267.13 g/mol
LogP1.49
Rot. Bonds2

About 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile

5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile (PubChem CID 76848539) has the molecular formula C10H11BrN4 and a molecular weight of 267.13 g/mol. Its IUPAC name is 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile
PubChem CID76848539
Molecular FormulaC10H11BrN4
Molecular Weight267.13 g/mol
Exact Mass266.02
IUPAC Name5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile
SMILESN#Cc1cc(Br)cnc1NC1CCNC1
InChIInChI=1S/C10H11BrN4/c11-8-3-7(4-12)10(14-5-8)15-9-1-2-13-6-9/h3,5,9,13H,1-2,6H2,(H,14,15)
InChIKeyQZDKXEFFZFERJK-UHFFFAOYSA-N
XLogP1.49
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(cyclopropylamino)pyridine-3-carbonitrile
CID 76848506
5-bromo-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 76848500
5-bromo-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 63872650
2-(azepan-4-ylamino)-5-nitropyridine-3-carbonitrile
CID 107173872
5-amino-2-(cyclopentylamino)pyridine-3-carbonitrile
CID 60922873
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
N-(5-bromo-3-chloro-2-pyridinyl)azepan-4-amine
CID 107173501
3-nitro-2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile
CID 82813443
6-(azepan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472329
5-bromo-2-(6-oxaspiro[2.5]octan-2-ylamino)pyridine-3-carbonitrile
CID 128564697
2-(pyrrolidin-3-ylamino)pyridine-4-carbonitrile;hydrochloride
CID 71643662
5-bromo-2-(tert-butylamino)pyridine-3-carbonitrile
CID 76847706

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile (CID 76848539) is 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile is N#Cc1cc(Br)cnc1NC1CCNC1.
What is the InChIKey of 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile?
The InChIKey is QZDKXEFFZFERJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4/c11-8-3-7(4-12)10(14-5-8)15-9-1-2-13-6-9/h3,5,9,13H,1-2,6H2,(H,14,15).
What are the key properties of 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile?
5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile has a molecular weight of 267.13 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(pyrrolidin-3-ylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 76848539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).