2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid

C9H3F5N2O3 — CID 119017878

IUPAC2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESN#Cc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C9H3F5N2O3/c10-7(11)5-3(1-15)16-2-4(6(5)8(17)18)19-9(12,13)14/h2,7H,(H,17,18)
InChIKeyVAOJPONOWVCJOL-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.49
Rot. Bonds3

About 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid

2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 119017878) has the molecular formula C9H3F5N2O3 and a molecular weight of 282.12 g/mol. Its IUPAC name is 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID119017878
Molecular FormulaC9H3F5N2O3
Molecular Weight282.12 g/mol
Exact Mass282.01
IUPAC Name2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESN#Cc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)F
InChIInChI=1S/C9H3F5N2O3/c10-7(11)5-3(1-15)16-2-4(6(5)8(17)18)19-9(12,13)14/h2,7H,(H,17,18)
InChIKeyVAOJPONOWVCJOL-UHFFFAOYSA-N
XLogP2.49
TPSA83.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
4-amino-3-hydroxy-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118834504
3-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134672974
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
2-[6-cyano-5-(difluoromethyl)-4-methoxy-3-pyridinyl]acetic acid
CID 134664652
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
3-(difluoromethyl)-4-(trifluoromethoxy)-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119011943
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119014377

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 119017878) is 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid is N#Cc1ncc(OC(F)(F)F)c(C(=O)O)c1C(F)F.
What is the InChIKey of 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is VAOJPONOWVCJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F5N2O3/c10-7(11)5-3(1-15)16-2-4(6(5)8(17)18)19-9(12,13)14/h2,7H,(H,17,18).
What are the key properties of 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid?
2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 282.12 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 119017878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).