4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

C13H6ClN5O — CID 106526177

IUPAC4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccc(Cl)cn3)no2)ccn1
InChIInChI=1S/C13H6ClN5O/c14-9-1-2-11(17-7-9)12-18-13(20-19-12)8-3-4-16-10(5-8)6-15/h1-5,7H
InChIKeyUMBMPHLHKFUWKC-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.72
Rot. Bonds2

About 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile

4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106526177) has the molecular formula C13H6ClN5O and a molecular weight of 283.68 g/mol. Its IUPAC name is 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106526177
Molecular FormulaC13H6ClN5O
Molecular Weight283.68 g/mol
Exact Mass283.03
IUPAC Name4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESN#Cc1cc(-c2nc(-c3ccc(Cl)cn3)no2)ccn1
InChIInChI=1S/C13H6ClN5O/c14-9-1-2-11(17-7-9)12-18-13(20-19-12)8-3-4-16-10(5-8)6-15/h1-5,7H
InChIKeyUMBMPHLHKFUWKC-UHFFFAOYSA-N
XLogP2.72
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 106526186
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyridine-2-carbonitrile
CID 155585270
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524634
5-[[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]amino]pyrazine-2-carbonitrile;ethane
CID 155585122
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525481
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525323
4-chloro-3-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503410
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525431
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 106523489

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106526177) is 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is N#Cc1cc(-c2nc(-c3ccc(Cl)cn3)no2)ccn1.
What is the InChIKey of 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is UMBMPHLHKFUWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClN5O/c14-9-1-2-11(17-7-9)12-18-13(20-19-12)8-3-4-16-10(5-8)6-15/h1-5,7H.
What are the key properties of 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 283.68 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106526177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).