5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine

C8H8F2N2O2 — CID 130101236

IUPAC5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
SMILESCc1c(C(F)F)cnc([N+](=O)[O-])c1C
InChIInChI=1S/C8H8F2N2O2/c1-4-5(2)8(12(13)14)11-3-6(4)7(9)10/h3,7H,1-2H3
InChIKeyIXGRAUMRTOBSDT-UHFFFAOYSA-N
MW202.16 g/mol
LogP2.54
Rot. Bonds2

About 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine

5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine (PubChem CID 130101236) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine.

Molecular Properties

Compound Name5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
PubChem CID130101236
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
SMILESCc1c(C(F)F)cnc([N+](=O)[O-])c1C
InChIInChI=1S/C8H8F2N2O2/c1-4-5(2)8(12(13)14)11-3-6(4)7(9)10/h3,7H,1-2H3
InChIKeyIXGRAUMRTOBSDT-UHFFFAOYSA-N
XLogP2.54
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 52.54
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

ethyl 5-(difluoromethyl)-3-methyl-2-nitropyridine-4-carboxylate
CID 133098749
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
2-bromo-5-(difluoromethyl)-3-methyl-4-nitropyridine
CID 119020785
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-(difluoromethyl)-4-iodo-2-nitropyridine-3-carbaldehyde
CID 130086717
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanol
CID 133100024
5-(difluoromethyl)-3-methoxy-2-nitropyridine-4-carbaldehyde
CID 133099322
methyl 2-[4-(difluoromethyl)-5-methyl-6-nitro-3-pyridinyl]acetate
CID 133098665
[5-(difluoromethyl)-3-methoxy-2-nitro-4-pyridinyl]methanamine
CID 133100289
4-(difluoromethyl)-5-methyl-2-nitro-3-(trifluoromethoxy)pyridine
CID 134672786
4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine?
The IUPAC name of 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine (CID 130101236) is 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine.
What is the SMILES notation for 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine?
The canonical SMILES for 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine is Cc1c(C(F)F)cnc([N+](=O)[O-])c1C.
What is the InChIKey of 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine?
The InChIKey is IXGRAUMRTOBSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-4-5(2)8(12(13)14)11-3-6(4)7(9)10/h3,7H,1-2H3.
What are the key properties of 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine?
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine has a molecular weight of 202.16 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine is sourced from PubChem (CID 130101236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).