5-(2-chloro-6-fluorophenyl)-2-nitropyridine

C11H6ClFN2O2 — CID 165487980

IUPAC5-(2-chloro-6-fluorophenyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2c(F)cccc2Cl)cn1
InChIInChI=1S/C11H6ClFN2O2/c12-8-2-1-3-9(13)11(8)7-4-5-10(14-6-7)15(16)17/h1-6H
InChIKeyASBHDGCDOBUYNX-UHFFFAOYSA-N
MW252.63 g/mol
LogP3.45
Rot. Bonds2

About 5-(2-chloro-6-fluorophenyl)-2-nitropyridine

5-(2-chloro-6-fluorophenyl)-2-nitropyridine (PubChem CID 165487980) has the molecular formula C11H6ClFN2O2 and a molecular weight of 252.63 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-2-nitropyridine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-2-nitropyridine
PubChem CID165487980
Molecular FormulaC11H6ClFN2O2
Molecular Weight252.63 g/mol
Exact Mass252.01
IUPAC Name5-(2-chloro-6-fluorophenyl)-2-nitropyridine
SMILESO=[N+]([O-])c1ccc(-c2c(F)cccc2Cl)cn1
InChIInChI=1S/C11H6ClFN2O2/c12-8-2-1-3-9(13)11(8)7-4-5-10(14-6-7)15(16)17/h1-6H
InChIKeyASBHDGCDOBUYNX-UHFFFAOYSA-N
XLogP3.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.63
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-chloro-6-fluorophenyl)-2-nitropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole
CID 121374373
2-chloro-5-(2-chloro-6-fluorophenyl)pyridine-3-carbonitrile
CID 82122908
2-(2,6-dichlorophenyl)-5-(4-nitrophenyl)-1,3-thiazole
CID 21100331
2,5-bis(2,6-dichlorophenyl)-3-nitropyridine
CID 133087508
5-chloro-2-(6-nitro-3-pyridinyl)benzonitrile
CID 139893416
5-(2-chloro-6-fluorophenyl)-2-(dimethylamino)pyridine-3-carbonitrile
CID 94284848
5-(2,6-dichlorophenyl)-2-methoxy-3-nitropyridine
CID 133087485
2-chloro-3-fluoro-6-nitropyridine
CID 119018246
5-[4-[(2,4-dichlorophenyl)methoxy]-2-pyridinyl]-2-nitropyridine
CID 151637109
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
5-[4-(4-methylphenyl)phenoxy]-2-nitropyridine
CID 145045044

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-nitropyridine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-nitropyridine (CID 165487980) is 5-(2-chloro-6-fluorophenyl)-2-nitropyridine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-2-nitropyridine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-2-nitropyridine is O=[N+]([O-])c1ccc(-c2c(F)cccc2Cl)cn1.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-2-nitropyridine?
The InChIKey is ASBHDGCDOBUYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2/c12-8-2-1-3-9(13)11(8)7-4-5-10(14-6-7)15(16)17/h1-6H.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-2-nitropyridine?
5-(2-chloro-6-fluorophenyl)-2-nitropyridine has a molecular weight of 252.63 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-2-nitropyridine is sourced from PubChem (CID 165487980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).