5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid

C15H13ClFN3O2 — CID 143414643

IUPAC5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid
SMILESC=CNc1ncc(C(=O)O)c(Nc2ccc(C)cc2F)c1Cl
InChIInChI=1S/C15H13ClFN3O2/c1-3-18-14-12(16)13(9(7-19-14)15(21)22)20-11-5-4-8(2)6-10(11)17/h3-7H,1H2,2H3,(H,21,22)(H2,18,19,20)
InChIKeyLIIFFBICPGDUKS-UHFFFAOYSA-N
MW321.74 g/mol
LogP4.18
Rot. Bonds5

About 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid

5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid (PubChem CID 143414643) has the molecular formula C15H13ClFN3O2 and a molecular weight of 321.74 g/mol. Its IUPAC name is 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid
PubChem CID143414643
Molecular FormulaC15H13ClFN3O2
Molecular Weight321.74 g/mol
Exact Mass321.07
IUPAC Name5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid
SMILESC=CNc1ncc(C(=O)O)c(Nc2ccc(C)cc2F)c1Cl
InChIInChI=1S/C15H13ClFN3O2/c1-3-18-14-12(16)13(9(7-19-14)15(21)22)20-11-5-4-8(2)6-10(11)17/h3-7H,1H2,2H3,(H,21,22)(H2,18,19,20)
InChIKeyLIIFFBICPGDUKS-UHFFFAOYSA-N
XLogP4.18
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5,6-dichloro-4-(4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 118412477
ethane;3,4,5-trifluoro-2-(2-fluoro-4-methylanilino)benzoic acid
CID 142108942
2-(2-chloro-4-methylanilino)-3,4-difluorobenzoic acid
CID 142266274
2-(2,6-difluoroanilino)-5-methylbenzoic acid
CID 63537820
4-fluoro-5-(2-fluoro-4-methylanilino)-1,2,3-benzoxadiazole-6-carboxylic acid
CID 123796691
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
3-ethyl-8-fluoro-7-(2-fluoro-4-methylanilino)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 21111540
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 143636049
3,4-difluoro-2-(2-fluoro-4-methylanilino)benzoyl fluoride;ethane
CID 171642357
3,4-difluoro-2-(2-fluoro-4-methylanilino)-N-hydroxybenzamide
CID 143223156
5-acetyl-4-chloro-2-(2-fluoro-4-methylanilino)-1-methylpyrrole-3-carboxylic acid;ethane
CID 143666924

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid (CID 143414643) is 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid is C=CNc1ncc(C(=O)O)c(Nc2ccc(C)cc2F)c1Cl.
What is the InChIKey of 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is LIIFFBICPGDUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2/c1-3-18-14-12(16)13(9(7-19-14)15(21)22)20-11-5-4-8(2)6-10(11)17/h3-7H,1H2,2H3,(H,21,22)(H2,18,19,20).
What are the key properties of 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid?
5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 321.74 g/mol, XLogP of 4.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethenylamino)-4-(2-fluoro-4-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 143414643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).