2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine

C15H11ClN4O2 — CID 155271463

IUPAC2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine
SMILESCn1nccc1-c1cc([N+](=O)[O-])c(-c2ccccn2)cc1Cl
InChIInChI=1S/C15H11ClN4O2/c1-19-14(5-7-18-19)10-9-15(20(21)22)11(8-12(10)16)13-4-2-3-6-17-13/h2-9H,1H3
InChIKeyYWYXHYBIGRROSY-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.71
Rot. Bonds3

About 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine

2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine (PubChem CID 155271463) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine.

Molecular Properties

Compound Name2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine
PubChem CID155271463
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine
SMILESCn1nccc1-c1cc([N+](=O)[O-])c(-c2ccccn2)cc1Cl
InChIInChI=1S/C15H11ClN4O2/c1-19-14(5-7-18-19)10-9-15(20(21)22)11(8-12(10)16)13-4-2-3-6-17-13/h2-9H,1H3
InChIKeyYWYXHYBIGRROSY-UHFFFAOYSA-N
XLogP3.71
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine?
The IUPAC name of 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine (CID 155271463) is 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine.
What is the SMILES notation for 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine?
The canonical SMILES for 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine is Cn1nccc1-c1cc([N+](=O)[O-])c(-c2ccccn2)cc1Cl.
What is the InChIKey of 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine?
The InChIKey is YWYXHYBIGRROSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-19-14(5-7-18-19)10-9-15(20(21)22)11(8-12(10)16)13-4-2-3-6-17-13/h2-9H,1H3.
What are the key properties of 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine?
2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine has a molecular weight of 314.73 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(2-methylpyrazol-3-yl)-2-nitrophenyl]pyridine is sourced from PubChem (CID 155271463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).