5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine

C15H9Cl2N5O2 — CID 59595973

IUPAC5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccncc2Cl)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H9Cl2N5O2/c16-11-6-19-3-1-8(11)10-5-13(22(23)24)15(18)21-14(10)9-2-4-20-7-12(9)17/h1-7H,(H2,18,21)
InChIKeyAKNKLSMBOVKLFS-UHFFFAOYSA-N
MW362.18 g/mol
LogP4.00
Rot. Bonds3

About 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine

5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine (PubChem CID 59595973) has the molecular formula C15H9Cl2N5O2 and a molecular weight of 362.18 g/mol. Its IUPAC name is 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine.

Molecular Properties

Compound Name5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine
PubChem CID59595973
Molecular FormulaC15H9Cl2N5O2
Molecular Weight362.18 g/mol
Exact Mass361.01
IUPAC Name5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine
SMILESNc1nc(-c2ccncc2Cl)c(-c2ccncc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C15H9Cl2N5O2/c16-11-6-19-3-1-8(11)10-5-13(22(23)24)15(18)21-14(10)9-2-4-20-7-12(9)17/h1-7H,(H2,18,21)
InChIKeyAKNKLSMBOVKLFS-UHFFFAOYSA-N
XLogP4.00
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.18
LogP ≤ 54.00
H-Bond Donors ≤ 51
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 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine?
The IUPAC name of 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine (CID 59595973) is 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine.
What is the SMILES notation for 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine?
The canonical SMILES for 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine is Nc1nc(-c2ccncc2Cl)c(-c2ccncc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine?
The InChIKey is AKNKLSMBOVKLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N5O2/c16-11-6-19-3-1-8(11)10-5-13(22(23)24)15(18)21-14(10)9-2-4-20-7-12(9)17/h1-7H,(H2,18,21).
What are the key properties of 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine?
5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine has a molecular weight of 362.18 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(3-chloro-4-pyridinyl)-3-nitropyridin-2-amine is sourced from PubChem (CID 59595973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).