6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile

C8H3F2N3O3 — CID 130078756

IUPAC6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C=O
InChIInChI=1S/C8H3F2N3O3/c9-8(10)7-6(13(15)16)1-4(2-11)5(3-14)12-7/h1,3,8H
InChIKeyXVADPRDYSGSYQC-UHFFFAOYSA-N
MW227.13 g/mol
LogP1.61
Rot. Bonds3

About 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile

6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile (PubChem CID 130078756) has the molecular formula C8H3F2N3O3 and a molecular weight of 227.13 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
PubChem CID130078756
Molecular FormulaC8H3F2N3O3
Molecular Weight227.13 g/mol
Exact Mass227.01
IUPAC Name6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C=O
InChIInChI=1S/C8H3F2N3O3/c9-8(10)7-6(13(15)16)1-4(2-11)5(3-14)12-7/h1,3,8H
InChIKeyXVADPRDYSGSYQC-UHFFFAOYSA-N
XLogP1.61
TPSA96.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 51.61
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

3-bromo-6-(difluoromethyl)-5-nitropyridine-2-carbaldehyde
CID 130069920
6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118820580
6-(difluoromethyl)-5-nitro-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675519
6-(difluoromethyl)-3-hydroxy-4-nitropyridine-2-carbaldehyde
CID 130084402
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
2-cyano-6-(difluoromethyl)-5-nitropyridine-3-carboxylic acid
CID 134685781
6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
CID 119001249
2-(difluoromethyl)-4-formyl-5-nitropyridine-3-carbonitrile
CID 130078736
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetonitrile
CID 130074768
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
6-(difluoromethyl)-5-nitropyridine-2,3-diamine
CID 119002066
2,4-diformyl-5-nitrobenzonitrile
CID 170996405

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile (CID 130078756) is 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])c(C(F)F)nc1C=O.
What is the InChIKey of 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile?
The InChIKey is XVADPRDYSGSYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2N3O3/c9-8(10)7-6(13(15)16)1-4(2-11)5(3-14)12-7/h1,3,8H.
What are the key properties of 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile?
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile has a molecular weight of 227.13 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 130078756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).