2-(3-amino-6-bromo-2-pyridinyl)acetonitrile

C7H6BrN3 — CID 131117863

IUPAC2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1nc(Br)ccc1N
InChIInChI=1S/C7H6BrN3/c8-7-2-1-5(10)6(11-7)3-4-9/h1-2H,3,10H2
InChIKeyXOMWQLDQNQATBC-UHFFFAOYSA-N
MW212.05 g/mol
LogP1.49
Rot. Bonds1

About 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile

2-(3-amino-6-bromo-2-pyridinyl)acetonitrile (PubChem CID 131117863) has the molecular formula C7H6BrN3 and a molecular weight of 212.05 g/mol. Its IUPAC name is 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
PubChem CID131117863
Molecular FormulaC7H6BrN3
Molecular Weight212.05 g/mol
Exact Mass210.97
IUPAC Name2-(3-amino-6-bromo-2-pyridinyl)acetonitrile
SMILESN#CCc1nc(Br)ccc1N
InChIInChI=1S/C7H6BrN3/c8-7-2-1-5(10)6(11-7)3-4-9/h1-2H,3,10H2
InChIKeyXOMWQLDQNQATBC-UHFFFAOYSA-N
XLogP1.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.05
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-6-bromo-2-pyridinyl)methanol
CID 71299881
2-[3-amino-6-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 125129561
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
3-(2-amino-6-bromo-3-pyridinyl)-3-oxopropanenitrile
CID 154649475
2-(5-amino-2-methylpyrimidin-4-yl)acetonitrile
CID 84763072
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
CID 89035932
CID 89035932
(6-bromo-3-fluoro-2-pyridinyl)methanamine
CID 112694257
2-(5-amino-2-tert-butylpyrimidin-4-yl)acetonitrile
CID 84771568
2-(5-amino-3-bromo-2-pyridinyl)acetonitrile
CID 131070766
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-[6-amino-3-bromo-4-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130102010

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile (CID 131117863) is 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile is N#CCc1nc(Br)ccc1N.
What is the InChIKey of 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile?
The InChIKey is XOMWQLDQNQATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3/c8-7-2-1-5(10)6(11-7)3-4-9/h1-2H,3,10H2.
What are the key properties of 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile?
2-(3-amino-6-bromo-2-pyridinyl)acetonitrile has a molecular weight of 212.05 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-bromo-2-pyridinyl)acetonitrile is sourced from PubChem (CID 131117863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).