5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine

C9H12BrN3 — CID 86652368

IUPAC5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine
SMILESNc1ncc(Br)cc1NCC1CC1
InChIInChI=1S/C9H12BrN3/c10-7-3-8(9(11)13-5-7)12-4-6-1-2-6/h3,5-6,12H,1-2,4H2,(H2,11,13)
InChIKeyBKKBJCOLKGSZJJ-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.25
Rot. Bonds3

About 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine

5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine (PubChem CID 86652368) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine
PubChem CID86652368
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine
SMILESNc1ncc(Br)cc1NCC1CC1
InChIInChI=1S/C9H12BrN3/c10-7-3-8(9(11)13-5-7)12-4-6-1-2-6/h3,5-6,12H,1-2,4H2,(H2,11,13)
InChIKeyBKKBJCOLKGSZJJ-UHFFFAOYSA-N
XLogP2.25
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine?
The IUPAC name of 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine (CID 86652368) is 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine is Nc1ncc(Br)cc1NCC1CC1.
What is the InChIKey of 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine?
The InChIKey is BKKBJCOLKGSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c10-7-3-8(9(11)13-5-7)12-4-6-1-2-6/h3,5-6,12H,1-2,4H2,(H2,11,13).
What are the key properties of 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine?
5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine has a molecular weight of 242.12 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-N-(cyclopropylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 86652368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).