1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine

C10H14BrN3O2 — CID 63196889

IUPAC1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine
SMILESCCCC(N)Cc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14BrN3O2/c1-2-3-8(12)5-9-10(14(15)16)4-7(11)6-13-9/h4,6,8H,2-3,5,12H2,1H3
InChIKeyFWQUSVXMELSDGE-UHFFFAOYSA-N
MW288.14 g/mol
LogP2.42
Rot. Bonds5

About 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine

1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine (PubChem CID 63196889) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine.

Molecular Properties

Compound Name1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine
PubChem CID63196889
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine
SMILESCCCC(N)Cc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C10H14BrN3O2/c1-2-3-8(12)5-9-10(14(15)16)4-7(11)6-13-9/h4,6,8H,2-3,5,12H2,1H3
InChIKeyFWQUSVXMELSDGE-UHFFFAOYSA-N
XLogP2.42
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 52.42
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

1-(5-bromo-3-nitro-2-pyridinyl)-N-ethylpropan-2-amine
CID 63200511
1-(5-bromo-3-nitro-2-pyridinyl)-N,3-dimethylbutan-2-amine
CID 63202365
2-(5-bromo-3-nitro-2-pyridinyl)-1-cyclopropyl-N-methylethanamine
CID 55200912
5-bromo-2-(2-chloro-2-phenylethyl)-3-nitropyridine
CID 63205220
2-(5-bromo-3-nitro-2-pyridinyl)ethyl propanoate
CID 175284511
1-(3-bromo-5-nitro-2-pyridinyl)butan-2-amine
CID 79523633
2-N-(5-bromo-3-nitro-2-pyridinyl)hexane-1,2-diamine
CID 80704072
5-bromo-2-[(2S)-2-(3-ethoxy-4-methoxyphenyl)-3-methylsulfonylpropyl]-3-nitropyridine
CID 157388775
2-[(1S)-1-aminopentyl]-4-bromo-6-nitrophenol
CID 171234390
2-(5-bromo-3-nitro-2-pyridinyl)butanoic acid
CID 104572111
1-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)pentan-2-amine
CID 63196388
5-bromo-3-nitro-2-propan-2-yloxypyridine
CID 61373982

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine?
The IUPAC name of 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine (CID 63196889) is 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine.
What is the SMILES notation for 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine?
The canonical SMILES for 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine is CCCC(N)Cc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine?
The InChIKey is FWQUSVXMELSDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-2-3-8(12)5-9-10(14(15)16)4-7(11)6-13-9/h4,6,8H,2-3,5,12H2,1H3.
What are the key properties of 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine?
1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine has a molecular weight of 288.14 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-nitro-2-pyridinyl)pentan-2-amine is sourced from PubChem (CID 63196889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).