2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid

C11H10FN3O2 — CID 118694937

IUPAC2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1
InChIInChI=1S/C11H10FN3O2/c12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17/h3,5,7H,1-2,6H2,(H,16,17)
InChIKeyTYVNKZKGOYJABX-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.20
Rot. Bonds2

About 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid

2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid (PubChem CID 118694937) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid
PubChem CID118694937
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid
SMILESN#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1
InChIInChI=1S/C11H10FN3O2/c12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17/h3,5,7H,1-2,6H2,(H,16,17)
InChIKeyTYVNKZKGOYJABX-UHFFFAOYSA-N
XLogP1.20
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Aminoisonicotinic acid
CID 459531
2,5-Dimethyl-1-[(pyridin-4-yl)methyl]-1H-pyrrole-3-carboxylic acid
CID 2736289
5-(Dimethylamino)pyridine-3-carboxylic acid
CID 2050105
3-[(4-Fluorobenzyl)amino]pyridine-4-carboxylic acid
CID 81750967
5-(1H-pyrrol-1-yl)pyridine-3-carboxylic acid
CID 2050101
3-(Propylamino)pyridine-4-carboxylic acid
CID 81750118
3-(Butylamino)pyridine-4-carboxylic acid
CID 81751142
3-(3-Aminopropylamino)pyridine-4-carboxylic acid
CID 83698744
2-Cyanoisonicotinic Acid
CID 2762513
2-Cyanopyridine-3-carboxylic acid
CID 12535315
3-(Cyclopentylmethylamino)pyridine-4-carboxylic acid
CID 81750970
2-Methyl-1-phenylpyrrole-3-carboxylic acid
CID 68571473

Frequently Asked Questions

What is the IUPAC name of 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid (CID 118694937) is 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid is N#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1.
What is the InChIKey of 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is TYVNKZKGOYJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17/h3,5,7H,1-2,6H2,(H,16,17).
What are the key properties of 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid?
2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 235.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 118694937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).