3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine

C11H16BrN3O2 — CID 79534618

IUPAC3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
SMILESCCCCC(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H16BrN3O2/c1-3-4-5-8(2)14-11-10(12)6-9(7-13-11)15(16)17/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyOGALDWOTRWVLHX-UHFFFAOYSA-N
MW302.17 g/mol
LogP3.74
Rot. Bonds6

About 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine

3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine (PubChem CID 79534618) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
PubChem CID79534618
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine
SMILESCCCCC(C)Nc1ncc([N+](=O)[O-])cc1Br
InChIInChI=1S/C11H16BrN3O2/c1-3-4-5-8(2)14-11-10(12)6-9(7-13-11)15(16)17/h6-8H,3-5H2,1-2H3,(H,13,14)
InChIKeyOGALDWOTRWVLHX-UHFFFAOYSA-N
XLogP3.74
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 53.74
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'}

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Related Compounds

3-bromo-N-(6-methylheptan-2-yl)-5-nitropyridin-2-amine
CID 79534701
4-N-(3-bromo-5-nitro-2-pyridinyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 79530972
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
2-N-(3-bromo-5-nitro-2-pyridinyl)hexane-1,2-diamine
CID 80704594
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255
ethyl 3-[(3-bromo-5-nitro-2-pyridinyl)amino]butanoate
CID 133363362
3-bromo-5-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 79534792
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
3-bromo-N-(4-methylpentyl)-5-nitropyridin-2-amine
CID 79534609
3-bromo-N-hex-5-yn-3-yl-5-nitropyridin-2-amine
CID 115677572

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine?
The IUPAC name of 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine (CID 79534618) is 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine.
What is the SMILES notation for 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine?
The canonical SMILES for 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine is CCCCC(C)Nc1ncc([N+](=O)[O-])cc1Br.
What is the InChIKey of 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine?
The InChIKey is OGALDWOTRWVLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-3-4-5-8(2)14-11-10(12)6-9(7-13-11)15(16)17/h6-8H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine?
3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine has a molecular weight of 302.17 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-hexan-2-yl-5-nitropyridin-2-amine is sourced from PubChem (CID 79534618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).