5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

C13H12ClN5O2 — CID 128997249

IUPAC5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc([C@H]2C[C@@H](O)CN2c2ncc(C#N)cc2Cl)n1
InChIInChI=1S/C13H12ClN5O2/c1-7-17-13(21-18-7)11-3-9(20)6-19(11)12-10(14)2-8(4-15)5-16-12/h2,5,9,11,20H,3,6H2,1H3/t9-,11-/m1/s1
InChIKeyLJBVABVQEBTZRH-MWLCHTKSSA-N
MW305.73 g/mol
LogP1.61
Rot. Bonds2

About 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile

5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 128997249) has the molecular formula C13H12ClN5O2 and a molecular weight of 305.73 g/mol. Its IUPAC name is 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID128997249
Molecular FormulaC13H12ClN5O2
Molecular Weight305.73 g/mol
Exact Mass305.07
IUPAC Name5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCc1noc([C@H]2C[C@@H](O)CN2c2ncc(C#N)cc2Cl)n1
InChIInChI=1S/C13H12ClN5O2/c1-7-17-13(21-18-7)11-3-9(20)6-19(11)12-10(14)2-8(4-15)5-16-12/h2,5,9,11,20H,3,6H2,1H3/t9-,11-/m1/s1
InChIKeyLJBVABVQEBTZRH-MWLCHTKSSA-N
XLogP1.61
TPSA99.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.73
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 128997249) is 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is Cc1noc([C@H]2C[C@@H](O)CN2c2ncc(C#N)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is LJBVABVQEBTZRH-MWLCHTKSSA-N. The full InChI is InChI=1S/C13H12ClN5O2/c1-7-17-13(21-18-7)11-3-9(20)6-19(11)12-10(14)2-8(4-15)5-16-12/h2,5,9,11,20H,3,6H2,1H3/t9-,11-/m1/s1.
What are the key properties of 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile?
5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 305.73 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2R,4R)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 128997249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).