3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine

C10H6BrClN4O2 — CID 87260874

IUPAC3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine
SMILESNc1ccnc(Cl)c1-c1nc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H6BrClN4O2/c11-7-2-1-6(16(17)18)9(15-7)8-5(13)3-4-14-10(8)12/h1-4H,(H2,13,14)
InChIKeyBRRDNFZHDRQUGA-UHFFFAOYSA-N
MW329.54 g/mol
LogP3.05
Rot. Bonds2

About 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine

3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine (PubChem CID 87260874) has the molecular formula C10H6BrClN4O2 and a molecular weight of 329.54 g/mol. Its IUPAC name is 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine.

Molecular Properties

Compound Name3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine
PubChem CID87260874
Molecular FormulaC10H6BrClN4O2
Molecular Weight329.54 g/mol
Exact Mass327.94
IUPAC Name3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine
SMILESNc1ccnc(Cl)c1-c1nc(Br)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H6BrClN4O2/c11-7-2-1-6(16(17)18)9(15-7)8-5(13)3-4-14-10(8)12/h1-4H,(H2,13,14)
InChIKeyBRRDNFZHDRQUGA-UHFFFAOYSA-N
XLogP3.05
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.54
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine?
The IUPAC name of 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine (CID 87260874) is 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine.
What is the SMILES notation for 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine?
The canonical SMILES for 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine is Nc1ccnc(Cl)c1-c1nc(Br)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine?
The InChIKey is BRRDNFZHDRQUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrClN4O2/c11-7-2-1-6(16(17)18)9(15-7)8-5(13)3-4-14-10(8)12/h1-4H,(H2,13,14).
What are the key properties of 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine?
3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine has a molecular weight of 329.54 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-nitro-2-pyridinyl)-2-chloropyridin-4-amine is sourced from PubChem (CID 87260874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).