1-(5-bromo-2-pyridinyl)-1,4-diazepine

C10H8BrN3 — CID 142756252

IUPAC1-(5-bromo-2-pyridinyl)-1,4-diazepine
SMILESBrc1ccc(N2C=CC=NC=C2)nc1
InChIInChI=1S/C10H8BrN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h1-8H
InChIKeyFYCYBWKDFWSXQI-UHFFFAOYSA-N
MW250.10 g/mol
LogP2.72
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-1,4-diazepine

1-(5-bromo-2-pyridinyl)-1,4-diazepine (PubChem CID 142756252) has the molecular formula C10H8BrN3 and a molecular weight of 250.10 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-1,4-diazepine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-1,4-diazepine
PubChem CID142756252
Molecular FormulaC10H8BrN3
Molecular Weight250.10 g/mol
Exact Mass248.99
IUPAC Name1-(5-bromo-2-pyridinyl)-1,4-diazepine
SMILESBrc1ccc(N2C=CC=NC=C2)nc1
InChIInChI=1S/C10H8BrN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h1-8H
InChIKeyFYCYBWKDFWSXQI-UHFFFAOYSA-N
XLogP2.72
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.10
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 23438624
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1-(5-bromo-2-pyridinyl)azocane
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5-bromo-2-piperidin-1-ylpyridine;hydrochloride
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[1-(5-bromo-2-pyridinyl)imidazol-4-yl]methanol
CID 68511931
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5-bromo-2-(2,2-dimethylpyrrolidin-1-yl)pyridine
CID 63218652
2-(5-bromo-2-pyridinyl)-5-methylidene-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 155296393
2-(5-bromo-2-pyridinyl)pyrazol-3-amine
CID 65347835
6-(5-bromo-2-pyridinyl)pyrrolo[3,4-b]pyrazine-5,7-diol
CID 137251571
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanamine
CID 60869692
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-1,4-diazepine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-1,4-diazepine (CID 142756252) is 1-(5-bromo-2-pyridinyl)-1,4-diazepine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-1,4-diazepine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-1,4-diazepine is Brc1ccc(N2C=CC=NC=C2)nc1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-1,4-diazepine?
The InChIKey is FYCYBWKDFWSXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3/c11-9-2-3-10(13-8-9)14-6-1-4-12-5-7-14/h1-8H.
What are the key properties of 1-(5-bromo-2-pyridinyl)-1,4-diazepine?
1-(5-bromo-2-pyridinyl)-1,4-diazepine has a molecular weight of 250.10 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-1,4-diazepine is sourced from PubChem (CID 142756252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).