3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine

C15H10ClN5O2 — CID 58354736

IUPAC3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C15H10ClN5O2/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17/h1-8H,(H2,17,20)
InChIKeyPQJLASNETVLGHA-UHFFFAOYSA-N
MW327.73 g/mol
LogP3.35
Rot. Bonds3

About 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine

3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine (PubChem CID 58354736) has the molecular formula C15H10ClN5O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
PubChem CID58354736
Molecular FormulaC15H10ClN5O2
Molecular Weight327.73 g/mol
Exact Mass327.05
IUPAC Name3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine
SMILESNc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl
InChIInChI=1S/C15H10ClN5O2/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17/h1-8H,(H2,17,20)
InChIKeyPQJLASNETVLGHA-UHFFFAOYSA-N
XLogP3.35
TPSA107.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 53.35
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 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The IUPAC name of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine (CID 58354736) is 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine.
What is the SMILES notation for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The canonical SMILES for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine is Nc1ncc([N+](=O)[O-])cc1-c1cc(-c2cccnc2)ncc1Cl.
What is the InChIKey of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
The InChIKey is PQJLASNETVLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2/c16-13-8-19-14(9-2-1-3-18-6-9)5-11(13)12-4-10(21(22)23)7-20-15(12)17/h1-8H,(H2,17,20).
What are the key properties of 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine?
3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine has a molecular weight of 327.73 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridin-3-yl-4-pyridinyl)-5-nitropyridin-2-amine is sourced from PubChem (CID 58354736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).