3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

C10H10BrN5O2 — CID 113338970

IUPAC3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cc1Br)c1cn[nH]c1
InChIInChI=1S/C10H10BrN5O2/c1-6(7-3-13-14-4-7)15-10-9(11)2-8(5-12-10)16(17)18/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyRBKJNCWZIRZPJZ-UHFFFAOYSA-N
MW312.13 g/mol
LogP2.65
Rot. Bonds4

About 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 113338970) has the molecular formula C10H10BrN5O2 and a molecular weight of 312.13 g/mol. Its IUPAC name is 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID113338970
Molecular FormulaC10H10BrN5O2
Molecular Weight312.13 g/mol
Exact Mass311.00
IUPAC Name3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cc1Br)c1cn[nH]c1
InChIInChI=1S/C10H10BrN5O2/c1-6(7-3-13-14-4-7)15-10-9(11)2-8(5-12-10)16(17)18/h2-6H,1H3,(H,12,15)(H,13,14)
InChIKeyRBKJNCWZIRZPJZ-UHFFFAOYSA-N
XLogP2.65
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-[1-(4-aminophenyl)ethyl]-3-bromo-5-nitropyridin-2-amine
CID 116650576
3-bromo-5-nitro-N-propan-2-ylpyridin-2-amine
CID 79535230
3-bromo-5-nitro-N-[(1R)-1-pyridin-3-ylethyl]pyridin-2-amine
CID 124508261
3-[(3-bromo-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113415973
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 114159167
3-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-5-nitropyridin-2-amine
CID 112697264
2-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79535054
3-bromo-N-tert-butyl-5-nitropyridin-2-amine
CID 82488870
3-[(3-bromo-5-nitro-2-pyridinyl)amino]butan-1-ol
CID 79711129
5-bromo-2-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 106215700
3-methyl-N-[1-(4-methylphenyl)ethyl]-5-nitropyridin-2-amine
CID 62477233
3-bromo-N-(1-methylsulfonylpropan-2-yl)-5-nitropyridin-2-amine
CID 79534255

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (CID 113338970) is 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is CC(Nc1ncc([N+](=O)[O-])cc1Br)c1cn[nH]c1.
What is the InChIKey of 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is RBKJNCWZIRZPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O2/c1-6(7-3-13-14-4-7)15-10-9(11)2-8(5-12-10)16(17)18/h2-6H,1H3,(H,12,15)(H,13,14).
What are the key properties of 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 312.13 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 113338970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).