6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde

C8H6F2N2O3 — CID 130088296

IUPAC6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
SMILESCc1nc(C(F)F)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6F2N2O3/c1-4-5(3-13)7(12(14)15)2-6(11-4)8(9)10/h2-3,8H,1H3
InChIKeyJLJBFDBUAFAVPF-UHFFFAOYSA-N
MW216.14 g/mol
LogP2.05
Rot. Bonds3

About 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde

6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde (PubChem CID 130088296) has the molecular formula C8H6F2N2O3 and a molecular weight of 216.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
PubChem CID130088296
Molecular FormulaC8H6F2N2O3
Molecular Weight216.14 g/mol
Exact Mass216.03
IUPAC Name6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde
SMILESCc1nc(C(F)F)cc([N+](=O)[O-])c1C=O
InChIInChI=1S/C8H6F2N2O3/c1-4-5(3-13)7(12(14)15)2-6(11-4)8(9)10/h2-3,8H,1H3
InChIKeyJLJBFDBUAFAVPF-UHFFFAOYSA-N
XLogP2.05
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.14
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde 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

2-chloro-6-(difluoromethyl)-4-nitropyridine-3-carbaldehyde
CID 118999855
6-(difluoromethyl)-2,3-dimethyl-4-nitropyridine
CID 130101216
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbonitrile
CID 133107766
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
4-(bromomethyl)-6-(difluoromethyl)-2-methylpyridine-3-carbaldehyde
CID 130090124
6-(difluoromethyl)-4-methoxy-2-nitropyridine-3-carbaldehyde
CID 133099310
5-(difluoromethyl)-2-fluoro-6-methyl-3-nitropyridine
CID 130080884
2-[6-(difluoromethyl)-3-methyl-4-nitro-2-pyridinyl]acetonitrile
CID 133099364
6-(difluoromethyl)-3-hydroxy-2-methylpyridine-4-carbaldehyde
CID 130083899
2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 118831929
3-chloro-6-(difluoromethyl)-4-nitropyridine-2-sulfonyl chloride
CID 131446537
3-chloro-6-(difluoromethyl)-2-iodo-4-nitropyridine
CID 130073075

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde (CID 130088296) is 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde is Cc1nc(C(F)F)cc([N+](=O)[O-])c1C=O.
What is the InChIKey of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde?
The InChIKey is JLJBFDBUAFAVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O3/c1-4-5(3-13)7(12(14)15)2-6(11-4)8(9)10/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde?
6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde has a molecular weight of 216.14 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-methyl-4-nitropyridine-3-carbaldehyde is sourced from PubChem (CID 130088296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).