3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine

C10H10BrN3O2 — CID 79535520

IUPAC3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
SMILESC#CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H10BrN3O2/c1-4-10(2,3)13-9-8(11)5-7(6-12-9)14(15)16/h1,5-6H,2-3H3,(H,12,13)
InChIKeyQQFWZOKYUMXRGC-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.58
Rot. Bonds3

About 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine

3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine (PubChem CID 79535520) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
PubChem CID79535520
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine
SMILESC#CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C10H10BrN3O2/c1-4-10(2,3)13-9-8(11)5-7(6-12-9)14(15)16/h1,5-6H,2-3H3,(H,12,13)
InChIKeyQQFWZOKYUMXRGC-UHFFFAOYSA-N
XLogP2.58
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
1-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylpropan-2-ol
CID 79535072
methyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2,2,3-trimethylbutanoate
CID 133350091
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
3-bromo-N-hex-5-yn-3-yl-5-nitropyridin-2-amine
CID 115677572
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
3-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridin-2-amine
CID 107268940
3-methyl-N-(2-methylbut-3-yn-2-yl)-5-nitroaniline
CID 112649252
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
N-[1-(4-aminophenyl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 116650576
3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 113338970
3-bromo-5-nitro-N-(2-phenylpropyl)pyridin-2-amine
CID 104591694

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine (CID 79535520) is 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine is C#CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine?
The InChIKey is QQFWZOKYUMXRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-4-10(2,3)13-9-8(11)5-7(6-12-9)14(15)16/h1,5-6H,2-3H3,(H,12,13).
What are the key properties of 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine?
3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine has a molecular weight of 284.11 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methylbut-3-yn-2-yl)-5-nitropyridin-2-amine is sourced from PubChem (CID 79535520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).