4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid

C8H4F2N2O3 — CID 118810655

IUPAC4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESN#Cc1cc(OC(F)F)nc(C(=O)O)c1
InChIInChI=1S/C8H4F2N2O3/c9-8(10)15-6-2-4(3-11)1-5(12-6)7(13)14/h1-2,8H,(H,13,14)
InChIKeyXOLRNJAMLDNKNY-UHFFFAOYSA-N
MW214.13 g/mol
LogP1.25
Rot. Bonds3

About 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid

4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118810655) has the molecular formula C8H4F2N2O3 and a molecular weight of 214.13 g/mol. Its IUPAC name is 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118810655
Molecular FormulaC8H4F2N2O3
Molecular Weight214.13 g/mol
Exact Mass214.02
IUPAC Name4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid
SMILESN#Cc1cc(OC(F)F)nc(C(=O)O)c1
InChIInChI=1S/C8H4F2N2O3/c9-8(10)15-6-2-4(3-11)1-5(12-6)7(13)14/h1-2,8H,(H,13,14)
InChIKeyXOLRNJAMLDNKNY-UHFFFAOYSA-N
XLogP1.25
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.13
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-6-propan-2-ylpyridine-2-carboxylic acid
CID 68506596
2-amino-4-cyano-6-(difluoromethoxy)benzoic acid
CID 171022488
2-(chloromethyl)-4-cyano-6-(difluoromethoxy)benzoic acid
CID 134619945
2-[2-amino-5-cyano-3-(difluoromethoxy)phenyl]acetic acid
CID 171022441
methyl 4-cyano-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxylate
CID 138584566
5-amino-3-cyano-2-(difluoromethoxy)benzoic acid
CID 171022693
6-(difluoromethoxy)-2-fluoropyridine-3-carboxylic acid
CID 121228473
3-(difluoromethoxy)benzonitrile
CID 2736988
methyl 5-cyano-2-(difluoromethoxy)-3-hydroxybenzoate
CID 134646589
2-[(4-cyano-6-methyl-2-pyridinyl)oxy]acetic acid
CID 114770401
3-cyano-4-(difluoromethoxy)-5-sulfanylbenzoic acid
CID 134640397
4-(2,6-dicarboxy-4-pyridinyl)pyridine-2,6-dicarboxylic acid;trihydrate
CID 139149283

Frequently Asked Questions

What is the IUPAC name of 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid (CID 118810655) is 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid is N#Cc1cc(OC(F)F)nc(C(=O)O)c1.
What is the InChIKey of 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is XOLRNJAMLDNKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O3/c9-8(10)15-6-2-4(3-11)1-5(12-6)7(13)14/h1-2,8H,(H,13,14).
What are the key properties of 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid?
4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 214.13 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-6-(difluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118810655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).