4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine

C10H7ClN4O2 — CID 175858045

IUPAC4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine
SMILESNc1nccc(-c2ccc(Cl)nc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O2/c11-8-2-1-6(5-14-8)7-3-4-13-10(12)9(7)15(16)17/h1-5H,(H2,12,13)
InChIKeyMDKKHYWATVXODX-UHFFFAOYSA-N
MW250.65 g/mol
LogP2.29
Rot. Bonds2

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

4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine (PubChem CID 175858045) has the molecular formula C10H7ClN4O2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine
PubChem CID175858045
Molecular FormulaC10H7ClN4O2
Molecular Weight250.65 g/mol
Exact Mass250.03
IUPAC Name4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine
SMILESNc1nccc(-c2ccc(Cl)nc2)c1[N+](=O)[O-]
InChIInChI=1S/C10H7ClN4O2/c11-8-2-1-6(5-14-8)7-3-4-13-10(12)9(7)15(16)17/h1-5H,(H2,12,13)
InChIKeyMDKKHYWATVXODX-UHFFFAOYSA-N
XLogP2.29
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 52.29
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 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine (CID 175858045) is 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine is Nc1nccc(-c2ccc(Cl)nc2)c1[N+](=O)[O-].
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine?
The InChIKey is MDKKHYWATVXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN4O2/c11-8-2-1-6(5-14-8)7-3-4-13-10(12)9(7)15(16)17/h1-5H,(H2,12,13).
What are the key properties of 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine?
4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine has a molecular weight of 250.65 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 175858045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).