6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine

C12H8ClFN2O2 — CID 115502582

IUPAC6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H8ClFN2O2/c1-7-2-3-8(6-9(7)14)12-10(16(17)18)4-5-11(13)15-12/h2-6H,1H3
InChIKeySVFVQHZVZJYEJY-UHFFFAOYSA-N
MW266.66 g/mol
LogP3.76
Rot. Bonds2

About 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine

6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine (PubChem CID 115502582) has the molecular formula C12H8ClFN2O2 and a molecular weight of 266.66 g/mol. Its IUPAC name is 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
PubChem CID115502582
Molecular FormulaC12H8ClFN2O2
Molecular Weight266.66 g/mol
Exact Mass266.03
IUPAC Name6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H8ClFN2O2/c1-7-2-3-8(6-9(7)14)12-10(16(17)18)4-5-11(13)15-12/h2-6H,1H3
InChIKeySVFVQHZVZJYEJY-UHFFFAOYSA-N
XLogP3.76
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 6-chloro-2-(3-fluoro-4-methylphenyl)-3-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

6-chloro-2-(3,4-difluorophenyl)-3-nitropyridine
CID 79072868
6-chloro-2-(3-methylphenyl)-3-nitropyridine
CID 79073948
2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 22106528
6-chloro-2-(2,6-difluorophenyl)-3-nitropyridine
CID 79079282
methyl 3-(6-chloro-3-nitro-2-pyridinyl)-5-fluorobenzoate
CID 103186711
6-chloro-3-nitro-2-(4-propylphenyl)pyridine
CID 79078917
2,6-bis(3,4-dichlorophenyl)-3-nitropyridine
CID 133087521
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
6-(3-fluoro-4-methylphenoxy)-N-methyl-5-nitropyridin-2-amine
CID 107171804
6-chloro-3-nitro-2-(2,4,6-trimethylphenoxy)pyridine
CID 176830724
2-chloro-5-fluoro-4-(4-fluoro-3-nitrophenyl)pyrimidine
CID 135346621
6-chloro-2-iodo-3-nitropyridine
CID 130882718

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The IUPAC name of 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine (CID 115502582) is 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])cc1F.
What is the InChIKey of 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The InChIKey is SVFVQHZVZJYEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O2/c1-7-2-3-8(6-9(7)14)12-10(16(17)18)4-5-11(13)15-12/h2-6H,1H3.
What are the key properties of 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine has a molecular weight of 266.66 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 115502582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).