2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile

C12H11ClN4O — CID 83072758

IUPAC2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
SMILESCc1nn(C)c(C)c1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-7-12(8(2)17(3)16-7)18-11-5-9(6-14)4-10(13)15-11/h4-5H,1-3H3
InChIKeyTTYQWZHNWARZOH-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.75
Rot. Bonds2

About 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile

2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile (PubChem CID 83072758) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
PubChem CID83072758
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile
SMILESCc1nn(C)c(C)c1Oc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C12H11ClN4O/c1-7-12(8(2)17(3)16-7)18-11-5-9(6-14)4-10(13)15-11/h4-5H,1-3H3
InChIKeyTTYQWZHNWARZOH-UHFFFAOYSA-N
XLogP2.75
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.75
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 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile (CID 83072758) is 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile is Cc1nn(C)c(C)c1Oc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile?
The InChIKey is TTYQWZHNWARZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-12(8(2)17(3)16-7)18-11-5-9(6-14)4-10(13)15-11/h4-5H,1-3H3.
What are the key properties of 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile?
2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile has a molecular weight of 262.70 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1,3,5-trimethylpyrazol-4-yl)oxypyridine-4-carbonitrile is sourced from PubChem (CID 83072758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).