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

C12H9FN2O2 — CID 22106528

IUPAC2-(3-fluoro-4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H9FN2O2/c1-8-4-5-9(7-10(8)13)12-11(15(16)17)3-2-6-14-12/h2-7H,1H3
InChIKeyFVSSIWUXRRPEPW-UHFFFAOYSA-N
MW232.21 g/mol
LogP3.10
Rot. Bonds2

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

2-(3-fluoro-4-methylphenyl)-3-nitropyridine (PubChem CID 22106528) has the molecular formula C12H9FN2O2 and a molecular weight of 232.21 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-3-nitropyridine
PubChem CID22106528
Molecular FormulaC12H9FN2O2
Molecular Weight232.21 g/mol
Exact Mass232.06
IUPAC Name2-(3-fluoro-4-methylphenyl)-3-nitropyridine
SMILESCc1ccc(-c2ncccc2[N+](=O)[O-])cc1F
InChIInChI=1S/C12H9FN2O2/c1-8-4-5-9(7-10(8)13)12-11(15(16)17)3-2-6-14-12/h2-7H,1H3
InChIKeyFVSSIWUXRRPEPW-UHFFFAOYSA-N
XLogP3.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 53.10
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'}

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Related Compounds

6-chloro-2-(3-fluoro-4-methylphenyl)-3-nitropyridine
CID 115502582
2-fluoro-1-methyl-4-(3-nitrophenyl)benzene
CID 70699657
2-(3,4-difluorophenyl)-3-methylpyridine
CID 142635597
1-(4-methyl-3-nitrophenyl)isoquinoline
CID 122399289
2-(3-fluoro-4-methoxyphenyl)-5-methyl-3-nitropyridine
CID 71079266
3-nitro-2-[12-(3-nitro-2-pyridinyl)chrysen-6-yl]pyridine
CID 89115193
6-(3-fluoro-4-methylphenyl)-5-nitro-N-propylpyrimidin-4-amine
CID 115502718
3-[4-(3-nitro-2-pyridinyl)phenyl]propanoic acid
CID 70658634
3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
N-methyl-3-nitropyridin-2-amine
CID 556349
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
5-fluoro-8-methoxy-7-nitroquinoline
CID 166150140

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-3-nitropyridine (CID 22106528) is 2-(3-fluoro-4-methylphenyl)-3-nitropyridine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-3-nitropyridine is Cc1ccc(-c2ncccc2[N+](=O)[O-])cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
The InChIKey is FVSSIWUXRRPEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O2/c1-8-4-5-9(7-10(8)13)12-11(15(16)17)3-2-6-14-12/h2-7H,1H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-3-nitropyridine?
2-(3-fluoro-4-methylphenyl)-3-nitropyridine has a molecular weight of 232.21 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-3-nitropyridine is sourced from PubChem (CID 22106528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).