6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide

C11H9BrN4 — CID 171526735

IUPAC6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)nc1
InChIInChI=1S/C11H9BrN4/c12-10-4-2-7(5-16-10)9-3-1-8(6-15-9)11(13)14/h1-6H,(H3,13,14)
InChIKeyPDZMOKQNLBNGPM-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.19
Rot. Bonds2

About 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide

6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide (PubChem CID 171526735) has the molecular formula C11H9BrN4 and a molecular weight of 277.12 g/mol. Its IUPAC name is 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
PubChem CID171526735
Molecular FormulaC11H9BrN4
Molecular Weight277.12 g/mol
Exact Mass276.00
IUPAC Name6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)nc1
InChIInChI=1S/C11H9BrN4/c12-10-4-2-7(5-16-10)9-3-1-8(6-15-9)11(13)14/h1-6H,(H3,13,14)
InChIKeyPDZMOKQNLBNGPM-UHFFFAOYSA-N
XLogP2.19
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-[3-(5-carbamimidoyl-2-pyridinyl)phenyl]pyridine-3-carboximidamide
CID 71745309
4-[5-(6-ethanimidoyl-3-pyridinyl)-2-pyridinyl]benzenecarboximidamide
CID 58478012
4-(6-bromo-3-pyridinyl)-2-fluorobenzenecarboximidamide
CID 171526804
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
3-[3-[4-(5-carbamimidoyl-2-pyridinyl)phenyl]-2-oxoimidazolidin-1-yl]propanoic acid
CID 22098578
6-(propan-2-ylamino)pyridine-3-carboximidamide
CID 62199546
1-(6-bromo-3-pyridinyl)ethanimine;ethane;2-methylpropane-2-thiol
CID 166536269
2-aminopyrimidine-5-carboximidamide
CID 45080078
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
6-[3-(4-carbamimidoyl-2-pyridinyl)-1,2-oxazol-5-yl]pyridine-3-carboximidamide;dihydrochloride
CID 90664748
6-(methylaminomethyl)pyridine-3-carboximidamide
CID 145206932
5-bromo-6-methylpyridine-3-carboximidamide
CID 83886236

Frequently Asked Questions

What is the IUPAC name of 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide?
The IUPAC name of 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide (CID 171526735) is 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide.
What is the SMILES notation for 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide?
The canonical SMILES for 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(Br)nc2)nc1.
What is the InChIKey of 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide?
The InChIKey is PDZMOKQNLBNGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c12-10-4-2-7(5-16-10)9-3-1-8(6-15-9)11(13)14/h1-6H,(H3,13,14).
What are the key properties of 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide?
6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide has a molecular weight of 277.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-bromo-3-pyridinyl)pyridine-3-carboximidamide is sourced from PubChem (CID 171526735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).