3,5-dibromo-4-isocyanopyridine

C6H2Br2N2 — CID 140746636

IUPAC3,5-dibromo-4-isocyanopyridine
SMILES[C-]#[N+]c1c(Br)cncc1Br
InChIInChI=1S/C6H2Br2N2/c1-9-6-4(7)2-10-3-5(6)8/h2-3H
InChIKeyHWZLTUVECRZWCN-UHFFFAOYSA-N
MW261.90 g/mol
LogP3.16
Rot. Bonds

About 3,5-dibromo-4-isocyanopyridine

3,5-dibromo-4-isocyanopyridine (PubChem CID 140746636) has the molecular formula C6H2Br2N2 and a molecular weight of 261.90 g/mol. Its IUPAC name is 3,5-dibromo-4-isocyanopyridine.

Molecular Properties

Compound Name3,5-dibromo-4-isocyanopyridine
PubChem CID140746636
Molecular FormulaC6H2Br2N2
Molecular Weight261.90 g/mol
Exact Mass259.86
IUPAC Name3,5-dibromo-4-isocyanopyridine
SMILES[C-]#[N+]c1c(Br)cncc1Br
InChIInChI=1S/C6H2Br2N2/c1-9-6-4(7)2-10-3-5(6)8/h2-3H
InChIKeyHWZLTUVECRZWCN-UHFFFAOYSA-N
XLogP3.16
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.90
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dibromo-4-pyridinyl)prop-2-en-1-ol
CID 130778838
5-bromo-4-fluoropyridine-3-thiol
CID 130618171
3,4-dibromo-5-iodopyridine
CID 53420269
3,5-dibromo-4-ethynylpyridine
CID 130936356
3-bromo-5-chloro-4-methoxypyridine
CID 70701123
6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
CID 155229147
6-bromo-7-isocyano-1,3-benzothiazole
CID 156656149
4-bromo-5-isocyano-2,6-dimethylpyridin-3-ol
CID 159883937
4-(azetidin-1-yl)-3,5-dibromopyridine
CID 130639085
5-bromo-4-ethenyl-N-methylpyridin-3-amine
CID 177178712
1-bromo-2-isocyano-3,5-dimethoxybenzene
CID 164663818
3,6-dibromo-2-isocyanopyridine
CID 140826022

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-isocyanopyridine?
The IUPAC name of 3,5-dibromo-4-isocyanopyridine (CID 140746636) is 3,5-dibromo-4-isocyanopyridine.
What is the SMILES notation for 3,5-dibromo-4-isocyanopyridine?
The canonical SMILES for 3,5-dibromo-4-isocyanopyridine is [C-]#[N+]c1c(Br)cncc1Br.
What is the InChIKey of 3,5-dibromo-4-isocyanopyridine?
The InChIKey is HWZLTUVECRZWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Br2N2/c1-9-6-4(7)2-10-3-5(6)8/h2-3H.
What are the key properties of 3,5-dibromo-4-isocyanopyridine?
3,5-dibromo-4-isocyanopyridine has a molecular weight of 261.90 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-isocyanopyridine is sourced from PubChem (CID 140746636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).