2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine

C14H9FN4O2 — CID 168965402

IUPAC2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-c2ccc(F)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H9FN4O2/c15-10-3-1-9(2-4-10)13-7-11(12-5-6-17-18-12)14(8-16-13)19(20)21/h1-8H,(H,17,18)
InChIKeyCYPCKEVDQZQWCB-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.19
Rot. Bonds3

About 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine

2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine (PubChem CID 168965402) has the molecular formula C14H9FN4O2 and a molecular weight of 284.25 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine
PubChem CID168965402
Molecular FormulaC14H9FN4O2
Molecular Weight284.25 g/mol
Exact Mass284.07
IUPAC Name2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine
SMILESO=[N+]([O-])c1cnc(-c2ccc(F)cc2)cc1-c1ccn[nH]1
InChIInChI=1S/C14H9FN4O2/c15-10-3-1-9(2-4-10)13-7-11(12-5-6-17-18-12)14(8-16-13)19(20)21/h1-8H,(H,17,18)
InChIKeyCYPCKEVDQZQWCB-UHFFFAOYSA-N
XLogP3.19
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

5-(4-fluorophenyl)-2-(4-nitrophenyl)pyridine
CID 172619087
N,N-dimethyl-2-nitro-4-(1H-pyrazol-5-yl)aniline
CID 124908589
4-nitro-2,5-diphenylpyridine
CID 56647199
3-nitro-5-(1H-pyrazol-5-yl)benzene-1,2-diol
CID 135923285
2-(4-fluorophenyl)-5-methyl-3-nitropyridine
CID 46313040
N-[(4-fluorophenyl)methyl]-6-nitro-2-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidin-4-amine
CID 154490594
4-(4-fluoro-2-nitrophenyl)pyrimidine
CID 164602570
1-(4-fluorophenyl)-4-methyl-2-nitrobenzene
CID 46314619
3-[5-(4-fluorophenyl)-2-nitrophenyl]-1-methylpyrazole
CID 169043520
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697
5-chloro-4-nitro-1H-pyrazole
CID 18769507
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine (CID 168965402) is 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine is O=[N+]([O-])c1cnc(-c2ccc(F)cc2)cc1-c1ccn[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine?
The InChIKey is CYPCKEVDQZQWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN4O2/c15-10-3-1-9(2-4-10)13-7-11(12-5-6-17-18-12)14(8-16-13)19(20)21/h1-8H,(H,17,18).
What are the key properties of 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine?
2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine has a molecular weight of 284.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-nitro-4-(1H-pyrazol-5-yl)pyridine is sourced from PubChem (CID 168965402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).