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

C8H3F2IN2O — CID 130077549

IUPAC5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(I)c(C(F)F)cc1C=O
InChIInChI=1S/C8H3F2IN2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,3,7H
InChIKeyHIXRWEXBQQVXAK-UHFFFAOYSA-N
MW308.03 g/mol
LogP2.31
Rot. Bonds2

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

5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile (PubChem CID 130077549) has the molecular formula C8H3F2IN2O and a molecular weight of 308.03 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
PubChem CID130077549
Molecular FormulaC8H3F2IN2O
Molecular Weight308.03 g/mol
Exact Mass307.93
IUPAC Name5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
SMILESN#Cc1nc(I)c(C(F)F)cc1C=O
InChIInChI=1S/C8H3F2IN2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,3,7H
InChIKeyHIXRWEXBQQVXAK-UHFFFAOYSA-N
XLogP2.31
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.03
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetic acid
CID 119010158
3-bromo-6-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 130108994
6-cyano-5-(difluoromethyl)-2-iodopyridine-3-carboxamide
CID 119006178
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
4-(difluoromethyl)-3-formyl-6-methylpyridine-2-carbonitrile
CID 119002592
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
5-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134679457
5-(difluoromethyl)-2,6-dimethylpyridine-3-carbaldehyde
CID 130101411
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonitrile
CID 118991428
5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130095798

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile (CID 130077549) is 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile is N#Cc1nc(I)c(C(F)F)cc1C=O.
What is the InChIKey of 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile?
The InChIKey is HIXRWEXBQQVXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IN2O/c9-7(10)5-1-4(3-14)6(2-12)13-8(5)11/h1,3,7H.
What are the key properties of 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile?
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile has a molecular weight of 308.03 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile is sourced from PubChem (CID 130077549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).