5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine

C11H11Cl2N5O3 — CID 86620621

IUPAC5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine
SMILESCC(C)Oc1cc(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H11Cl2N5O3/c1-5(2)21-9-4-8(16-17-9)14-11-7(18(19)20)3-6(12)10(13)15-11/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyLEPDHPPASAHAMW-UHFFFAOYSA-N
MW332.15 g/mol
LogP3.55
Rot. Bonds5

About 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine

5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine (PubChem CID 86620621) has the molecular formula C11H11Cl2N5O3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound Name5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine
PubChem CID86620621
Molecular FormulaC11H11Cl2N5O3
Molecular Weight332.15 g/mol
Exact Mass331.02
IUPAC Name5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine
SMILESCC(C)Oc1cc(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H11Cl2N5O3/c1-5(2)21-9-4-8(16-17-9)14-11-7(18(19)20)3-6(12)10(13)15-11/h3-5H,1-2H3,(H2,14,15,16,17)
InChIKeyLEPDHPPASAHAMW-UHFFFAOYSA-N
XLogP3.55
TPSA105.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

2-N-[(1S)-1-(4-fluorophenyl)ethyl]-5-nitro-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
CID 69150423
2,5-dichloro-4-N-(dimethylsulfamoyl)-4-N-methyl-6-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-4,6-diamine
CID 87079507
3-chloro-N-(2-methoxyethyl)-5-nitro-6-propan-2-yloxypyridin-2-amine
CID 130268219
3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
CID 67454229
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047
N-(3-chloro-4-nitrophenyl)-5-propan-2-yl-1H-1,2,4-triazole-3-carboxamide
CID 82865928
3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
(2R)-2-[[6-[(3-ethoxy-1H-pyrazol-5-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(5-fluoro-2-pyridinyl)ethanol
CID 68736639
2-[[5-chloro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]pyrimidin-4-yl]amino]propane-1,3-diol
CID 11978342
3-fluoro-6-N-[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]-2-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
CID 175767533
N-[[5-fluoro-2-[1-(4-fluorophenyl)ethylamino]-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-3-pyridinyl]methyl]methanesulfonamide
CID 67460428
3,5-dinitro-2-N,6-N-bis(2,3,4,5,6-pentanitrophenyl)pyridine-2,6-diamine
CID 136726865

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine?
The IUPAC name of 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine (CID 86620621) is 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine.
What is the SMILES notation for 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine?
The canonical SMILES for 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine is CC(C)Oc1cc(Nc2nc(Cl)c(Cl)cc2[N+](=O)[O-])[nH]n1.
What is the InChIKey of 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine?
The InChIKey is LEPDHPPASAHAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5O3/c1-5(2)21-9-4-8(16-17-9)14-11-7(18(19)20)3-6(12)10(13)15-11/h3-5H,1-2H3,(H2,14,15,16,17).
What are the key properties of 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine?
5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine has a molecular weight of 332.15 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 86620621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).