6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile

C14H13ClN4O — CID 165117179

IUPAC6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H13ClN4O/c15-13-5-4-11(12(7-16)18-13)10-8-17-19(9-10)14-3-1-2-6-20-14/h4-5,8-9,14H,1-3,6H2
InChIKeyNSTXWUIPUIPDOW-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.17
Rot. Bonds2

About 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile

6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile (PubChem CID 165117179) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
PubChem CID165117179
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1
InChIInChI=1S/C14H13ClN4O/c15-13-5-4-11(12(7-16)18-13)10-8-17-19(9-10)14-3-1-2-6-20-14/h4-5,8-9,14H,1-3,6H2
InChIKeyNSTXWUIPUIPDOW-UHFFFAOYSA-N
XLogP3.17
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile (CID 165117179) is 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile is N#Cc1nc(Cl)ccc1-c1cnn(C2CCCCO2)c1.
What is the InChIKey of 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile?
The InChIKey is NSTXWUIPUIPDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-13-5-4-11(12(7-16)18-13)10-8-17-19(9-10)14-3-1-2-6-20-14/h4-5,8-9,14H,1-3,6H2.
What are the key properties of 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile?
6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile has a molecular weight of 288.74 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-(oxan-2-yl)pyrazol-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 165117179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).