3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

C6H3BrN5- — CID 7010302

IUPAC3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
SMILESBrc1cncc(-c2nnn[n-]2)c1
InChIInChI=1S/C6H3BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H/q-1
InChIKeyCGJXUSZYNASCNH-UHFFFAOYSA-N
MW225.03 g/mol
LogP0.65
Rot. Bonds1

About 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine

3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (PubChem CID 7010302) has the molecular formula C6H3BrN5- and a molecular weight of 225.03 g/mol. Its IUPAC name is 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.

Molecular Properties

Compound Name3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
PubChem CID7010302
Molecular FormulaC6H3BrN5-
Molecular Weight225.03 g/mol
Exact Mass223.96
IUPAC Name3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine
SMILESBrc1cncc(-c2nnn[n-]2)c1
InChIInChI=1S/C6H3BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H/q-1
InChIKeyCGJXUSZYNASCNH-UHFFFAOYSA-N
XLogP0.65
TPSA65.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.03
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?
The IUPAC name of 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine (CID 7010302) is 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine.
What is the SMILES notation for 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?
The canonical SMILES for 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is Brc1cncc(-c2nnn[n-]2)c1.
What is the InChIKey of 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?
The InChIKey is CGJXUSZYNASCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN5/c7-5-1-4(2-8-3-5)6-9-11-12-10-6/h1-3H/q-1.
What are the key properties of 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine?
3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine has a molecular weight of 225.03 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyridine is sourced from PubChem (CID 7010302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).