2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine

C15H16ClF2N7O4 — CID 156565939

IUPAC2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine
SMILESNc1cc(Cl)ncc1[N+](=O)[O-].Nc1cc(N2CCC(F)(F)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H12F2N4O2.C5H4ClN3O2/c11-10(12)1-3-15(4-2-10)9-5-7(13)8(6-14-9)16(17)18;6-5-1-3(7)4(2-8-5)9(10)11/h5-6H,1-4H2,(H2,13,14);1-2H,(H2,7,8)
InChIKeyMNKFTNWRHDIIGY-UHFFFAOYSA-N
MW431.79 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine

2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine (PubChem CID 156565939) has the molecular formula C15H16ClF2N7O4 and a molecular weight of 431.79 g/mol. Its IUPAC name is 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine
PubChem CID156565939
Molecular FormulaC15H16ClF2N7O4
Molecular Weight431.79 g/mol
Exact Mass431.09
IUPAC Name2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine
SMILESNc1cc(Cl)ncc1[N+](=O)[O-].Nc1cc(N2CCC(F)(F)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C10H12F2N4O2.C5H4ClN3O2/c11-10(12)1-3-15(4-2-10)9-5-7(13)8(6-14-9)16(17)18;6-5-1-3(7)4(2-8-5)9(10)11/h5-6H,1-4H2,(H2,13,14);1-2H,(H2,7,8)
InChIKeyMNKFTNWRHDIIGY-UHFFFAOYSA-N
XLogP3.03
TPSA167.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine?
The IUPAC name of 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine (CID 156565939) is 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine.
What is the SMILES notation for 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine?
The canonical SMILES for 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine is Nc1cc(Cl)ncc1[N+](=O)[O-].Nc1cc(N2CCC(F)(F)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine?
The InChIKey is MNKFTNWRHDIIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O2.C5H4ClN3O2/c11-10(12)1-3-15(4-2-10)9-5-7(13)8(6-14-9)16(17)18;6-5-1-3(7)4(2-8-5)9(10)11/h5-6H,1-4H2,(H2,13,14);1-2H,(H2,7,8).
What are the key properties of 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine?
2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine has a molecular weight of 431.79 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-nitropyridin-4-amine;2-(4,4-difluoropiperidin-1-yl)-5-nitropyridin-4-amine is sourced from PubChem (CID 156565939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).