5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid

C11H9N3O3 — CID 11836598

IUPAC5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid
SMILESN#CC1=C(N)OC(C(=O)O)C1c1cccnc1
InChIInChI=1S/C11H9N3O3/c12-4-7-8(6-2-1-3-14-5-6)9(11(15)16)17-10(7)13/h1-3,5,8-9H,13H2,(H,15,16)
InChIKeyJGOXRFKOIXNLRT-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.34
Rot. Bonds2

About 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid

5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid (PubChem CID 11836598) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid
PubChem CID11836598
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid
SMILESN#CC1=C(N)OC(C(=O)O)C1c1cccnc1
InChIInChI=1S/C11H9N3O3/c12-4-7-8(6-2-1-3-14-5-6)9(11(15)16)17-10(7)13/h1-3,5,8-9H,13H2,(H,15,16)
InChIKeyJGOXRFKOIXNLRT-UHFFFAOYSA-N
XLogP0.34
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-acetyl-5-amino-3-phenyl-2,3-dihydrofuran-4-carbonitrile
CID 102493361
5-amino-2-benzoyl-3-pyridin-3-yl-2,3-dihydrothiophene-4-carbonitrile
CID 5133685
2,6-diamino-4-pyridin-3-yl-4H-thiopyran-3,5-dicarbonitrile
CID 604802
methyl (4S)-2-amino-5-cyano-6-ethyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 7327444
tert-butyl 6-amino-5-cyano-2-methyl-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 5236789
ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxoethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 3241678
prop-2-enyl (4R)-5-cyano-2-methyl-4-pyridin-3-yl-6-sulfanyl-3,4-dihydropyridine-3-carboxylate
CID 7336573
(4S)-2-amino-6-tert-butyl-4-pyridin-3-yl-4H-pyran-3,5-dicarbonitrile
CID 703560
methyl (4R)-2-amino-5-cyano-6-(methoxymethyl)-4-pyridin-3-yl-4H-pyran-3-carboxylate
CID 902354
2-amino-6-hydroxy-4-pyridin-3-yl-4H-chromene-3-carbonitrile
CID 4007247
6-amino-4-(3-iodo-4-methoxyphenyl)-3-pyridin-3-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 156907812
6-amino-3-methyl-4-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 600130

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid?
The IUPAC name of 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid (CID 11836598) is 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid.
What is the SMILES notation for 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid?
The canonical SMILES for 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid is N#CC1=C(N)OC(C(=O)O)C1c1cccnc1.
What is the InChIKey of 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid?
The InChIKey is JGOXRFKOIXNLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-4-7-8(6-2-1-3-14-5-6)9(11(15)16)17-10(7)13/h1-3,5,8-9H,13H2,(H,15,16).
What are the key properties of 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid?
5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyano-3-pyridin-3-yl-2,3-dihydrofuran-2-carboxylic acid is sourced from PubChem (CID 11836598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).