2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine

C10H8Cl2N4O2 — CID 114253266

IUPAC2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-6-4-9(16(17)18)14-15(6)5-7-2-3-8(11)13-10(7)12/h2-4H,5H2,1H3
InChIKeyHKJZADFXSFHPTA-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.85
Rot. Bonds3

About 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine

2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine (PubChem CID 114253266) has the molecular formula C10H8Cl2N4O2 and a molecular weight of 287.11 g/mol. Its IUPAC name is 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine
PubChem CID114253266
Molecular FormulaC10H8Cl2N4O2
Molecular Weight287.11 g/mol
Exact Mass286.00
IUPAC Name2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine
SMILESCc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C10H8Cl2N4O2/c1-6-4-9(16(17)18)14-15(6)5-7-2-3-8(11)13-10(7)12/h2-4H,5H2,1H3
InChIKeyHKJZADFXSFHPTA-UHFFFAOYSA-N
XLogP2.85
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
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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Related Compounds

1-[(2,3-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole
CID 17386070
1-(chloromethyl)-5-methyl-3-nitropyrazole
CID 7172341
1-(ethylsulfanylmethyl)-5-methyl-3-nitropyrazole
CID 118976149
3-[(2,6-dichloro-3-pyridinyl)methyl]-6-methylpyrimidin-4-one
CID 106994118
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
CID 114253457
N-methyl-5-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyrazin-2-amine
CID 114253462
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541874
N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine
CID 114253456
ethyl 2-(5-methyl-3-nitropyrazol-1-yl)acetate
CID 771926
N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
CID 4865570
2-chloro-N-[(Z)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide
CID 6153464
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-5-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19442615

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine?
The IUPAC name of 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine (CID 114253266) is 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine.
What is the SMILES notation for 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine?
The canonical SMILES for 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine is Cc1cc([N+](=O)[O-])nn1Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine?
The InChIKey is HKJZADFXSFHPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O2/c1-6-4-9(16(17)18)14-15(6)5-7-2-3-8(11)13-10(7)12/h2-4H,5H2,1H3.
What are the key properties of 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine?
2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine has a molecular weight of 287.11 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridine is sourced from PubChem (CID 114253266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).