6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde

C8H6F2N2O4 — CID 118809216

IUPAC6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N2O4/c1-16-5-2-4(3-13)11-6(8(9)10)7(5)12(14)15/h2-3,8H,1H3
InChIKeyDULSPWFEBKEEHK-UHFFFAOYSA-N
MW232.14 g/mol
LogP1.75
Rot. Bonds4

About 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde

6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde (PubChem CID 118809216) has the molecular formula C8H6F2N2O4 and a molecular weight of 232.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
PubChem CID118809216
Molecular FormulaC8H6F2N2O4
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H6F2N2O4/c1-16-5-2-4(3-13)11-6(8(9)10)7(5)12(14)15/h2-3,8H,1H3
InChIKeyDULSPWFEBKEEHK-UHFFFAOYSA-N
XLogP1.75
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
4-bromo-2-(difluoromethyl)-6-methoxy-3-nitropyridine
CID 118834452
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073904
2-(difluoromethyl)-6-fluoro-3-nitropyridine-4-carbaldehyde
CID 118820515
2-(difluoromethyl)-6-iodo-3-nitropyridine-4-carbaldehyde
CID 118803878
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952
2-bromo-6-(difluoromethyl)-3-methoxy-5-nitropyridine
CID 119020021

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde (CID 118809216) is 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde is COc1cc(C=O)nc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde?
The InChIKey is DULSPWFEBKEEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O4/c1-16-5-2-4(3-13)11-6(8(9)10)7(5)12(14)15/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde?
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde has a molecular weight of 232.14 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde is sourced from PubChem (CID 118809216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).