3-bromopyridine-2,4-diamine

C5H6BrN3 — CID 12656258

IUPAC3-bromopyridine-2,4-diamine
SMILESNc1ccnc(N)c1Br
InChIInChI=1S/C5H6BrN3/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H4,7,8,9)
InChIKeyNVKFROUJVVIUSL-UHFFFAOYSA-N
MW188.03 g/mol
LogP1.01
Rot. Bonds

About 3-bromopyridine-2,4-diamine

3-bromopyridine-2,4-diamine (PubChem CID 12656258) has the molecular formula C5H6BrN3 and a molecular weight of 188.03 g/mol. Its IUPAC name is 3-bromopyridine-2,4-diamine.

Molecular Properties

Compound Name3-bromopyridine-2,4-diamine
PubChem CID12656258
Molecular FormulaC5H6BrN3
Molecular Weight188.03 g/mol
Exact Mass186.97
IUPAC Name3-bromopyridine-2,4-diamine
SMILESNc1ccnc(N)c1Br
InChIInChI=1S/C5H6BrN3/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H4,7,8,9)
InChIKeyNVKFROUJVVIUSL-UHFFFAOYSA-N
XLogP1.01
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.03
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine-2,4-diamine?
The IUPAC name of 3-bromopyridine-2,4-diamine (CID 12656258) is 3-bromopyridine-2,4-diamine.
What is the SMILES notation for 3-bromopyridine-2,4-diamine?
The canonical SMILES for 3-bromopyridine-2,4-diamine is Nc1ccnc(N)c1Br.
What is the InChIKey of 3-bromopyridine-2,4-diamine?
The InChIKey is NVKFROUJVVIUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H4,7,8,9).
What are the key properties of 3-bromopyridine-2,4-diamine?
3-bromopyridine-2,4-diamine has a molecular weight of 188.03 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine-2,4-diamine is sourced from PubChem (CID 12656258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).