2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid

C14H10FN3O2 — CID 105382290

IUPAC2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCN(c1cccc(C#N)c1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H10FN3O2/c1-18(10-4-2-3-9(7-10)8-16)13-12(15)11(14(19)20)5-6-17-13/h2-7H,1H3,(H,19,20)
InChIKeyMYNIVUGNDXSIQK-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.56
Rot. Bonds3

About 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid

2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105382290) has the molecular formula C14H10FN3O2 and a molecular weight of 271.25 g/mol. Its IUPAC name is 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105382290
Molecular FormulaC14H10FN3O2
Molecular Weight271.25 g/mol
Exact Mass271.08
IUPAC Name2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCN(c1cccc(C#N)c1)c1nccc(C(=O)O)c1F
InChIInChI=1S/C14H10FN3O2/c1-18(10-4-2-3-9(7-10)8-16)13-12(15)11(14(19)20)5-6-17-13/h2-7H,1H3,(H,19,20)
InChIKeyMYNIVUGNDXSIQK-UHFFFAOYSA-N
XLogP2.56
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyano-N-methylanilino)pyridine-2-carboxamide
CID 62983495
3-[(3-amino-2-pyridinyl)-methylamino]benzonitrile
CID 62983159
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382240
4-[(3-cyano-N-methylanilino)methyl]pyrimidine-5-carboxylic acid
CID 102974357
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-(4-fluoro-N-methylanilino)benzonitrile
CID 102816079
4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168
3-[(3-cyano-N-methylanilino)methyl]furan-2-carboxylic acid
CID 62981339
3-chloro-2-(N-methylanilino)pyridine-4-carboxylic acid
CID 107062181
3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]benzonitrile
CID 62982275
3-chloro-6-(3-cyano-N-methylanilino)pyridine-2-carboxylic acid
CID 62982531
3-[(3-cyano-N-methylanilino)methyl]-4-fluorobenzoic acid
CID 107452261

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid (CID 105382290) is 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid is CN(c1cccc(C#N)c1)c1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is MYNIVUGNDXSIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2/c1-18(10-4-2-3-9(7-10)8-16)13-12(15)11(14(19)20)5-6-17-13/h2-7H,1H3,(H,19,20).
What are the key properties of 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid?
2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 271.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105382290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).