6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile

C15H11N5O — CID 141118111

IUPAC6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2nccc2-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C15H11N5O/c1-21-15-5-3-12(10-18-15)20-14(6-7-19-20)13-4-2-11(8-16)9-17-13/h2-7,9-10H,1H3
InChIKeyQPCXBXXQIWSSAY-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.21
Rot. Bonds3

About 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile

6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile (PubChem CID 141118111) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
PubChem CID141118111
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(-n2nccc2-c2ccc(C#N)cn2)cn1
InChIInChI=1S/C15H11N5O/c1-21-15-5-3-12(10-18-15)20-14(6-7-19-20)13-4-2-11(8-16)9-17-13/h2-7,9-10H,1H3
InChIKeyQPCXBXXQIWSSAY-UHFFFAOYSA-N
XLogP2.21
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile (CID 141118111) is 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile is COc1ccc(-n2nccc2-c2ccc(C#N)cn2)cn1.
What is the InChIKey of 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile?
The InChIKey is QPCXBXXQIWSSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c1-21-15-5-3-12(10-18-15)20-14(6-7-19-20)13-4-2-11(8-16)9-17-13/h2-7,9-10H,1H3.
What are the key properties of 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile?
6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(6-methoxy-3-pyridinyl)pyrazol-3-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 141118111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).