5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine

C11H14BrN3O2 — CID 103768273

IUPAC5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
SMILESCCCC1CC1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O2/c1-2-3-7-4-9(7)14-11-10(15(16)17)5-8(12)6-13-11/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyCQDYJOUSQDPWPL-UHFFFAOYSA-N
MW300.16 g/mol
LogP3.35
Rot. Bonds5

About 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine

5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine (PubChem CID 103768273) has the molecular formula C11H14BrN3O2 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
PubChem CID103768273
Molecular FormulaC11H14BrN3O2
Molecular Weight300.16 g/mol
Exact Mass299.03
IUPAC Name5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine
SMILESCCCC1CC1Nc1ncc(Br)cc1[N+](=O)[O-]
InChIInChI=1S/C11H14BrN3O2/c1-2-3-7-4-9(7)14-11-10(15(16)17)5-8(12)6-13-11/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyCQDYJOUSQDPWPL-UHFFFAOYSA-N
XLogP3.35
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 53.35
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

[2-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclopentyl]methanol
CID 106362049
4-N-(5-bromo-3-nitro-2-pyridinyl)-1-N-methylcyclohexane-1,4-diamine
CID 79110639
5-bromo-N-cycloheptyl-3-nitropyridin-2-amine
CID 61227669
5-nitro-2-[(2-propylcyclopropyl)amino]pyridine-3-carboxamide
CID 133327481
5-bromo-N-(3,4-dimethylcyclohexyl)-3-nitropyridin-2-amine
CID 64744060
5-bromo-N-(4-methoxycyclohexyl)-3-nitropyridin-2-amine
CID 175928586
4-[(5-bromo-3-nitro-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 61227666
4-fluoro-2-nitro-N-(2-propylcyclopropyl)aniline
CID 113245630
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551
4-methylsulfonyl-2-nitro-N-(2-propylcyclopropyl)aniline
CID 103710907
2-[[(5-bromo-3-nitro-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 115430155

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine (CID 103768273) is 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine is CCCC1CC1Nc1ncc(Br)cc1[N+](=O)[O-].
What is the InChIKey of 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine?
The InChIKey is CQDYJOUSQDPWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O2/c1-2-3-7-4-9(7)14-11-10(15(16)17)5-8(12)6-13-11/h5-7,9H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine?
5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-nitro-N-(2-propylcyclopropyl)pyridin-2-amine is sourced from PubChem (CID 103768273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).