6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine

C10H7BrClN5O2 — CID 68788594

IUPAC6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine
SMILESNc1cc(-c2nc(N)c([N+](=O)[O-])cc2Br)c(Cl)cn1
InChIInChI=1S/C10H7BrClN5O2/c11-5-2-7(17(18)19)10(14)16-9(5)4-1-8(13)15-3-6(4)12/h1-3H,(H2,13,15)(H2,14,16)
InChIKeyOBQUMCFKIYHQEP-UHFFFAOYSA-N
MW344.56 g/mol
LogP2.63
Rot. Bonds2

About 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine

6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine (PubChem CID 68788594) has the molecular formula C10H7BrClN5O2 and a molecular weight of 344.56 g/mol. Its IUPAC name is 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine
PubChem CID68788594
Molecular FormulaC10H7BrClN5O2
Molecular Weight344.56 g/mol
Exact Mass342.95
IUPAC Name6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine
SMILESNc1cc(-c2nc(N)c([N+](=O)[O-])cc2Br)c(Cl)cn1
InChIInChI=1S/C10H7BrClN5O2/c11-5-2-7(17(18)19)10(14)16-9(5)4-1-8(13)15-3-6(4)12/h1-3H,(H2,13,15)(H2,14,16)
InChIKeyOBQUMCFKIYHQEP-UHFFFAOYSA-N
XLogP2.63
TPSA120.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.56
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine?
The IUPAC name of 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine (CID 68788594) is 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine.
What is the SMILES notation for 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine?
The canonical SMILES for 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine is Nc1cc(-c2nc(N)c([N+](=O)[O-])cc2Br)c(Cl)cn1.
What is the InChIKey of 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine?
The InChIKey is OBQUMCFKIYHQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrClN5O2/c11-5-2-7(17(18)19)10(14)16-9(5)4-1-8(13)15-3-6(4)12/h1-3H,(H2,13,15)(H2,14,16).
What are the key properties of 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine?
6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine has a molecular weight of 344.56 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chloro-4-pyridinyl)-5-bromo-3-nitropyridin-2-amine is sourced from PubChem (CID 68788594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).