4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

C17H14N2O2 — CID 19895642

IUPAC4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccc(O)cn2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H14N2O2/c1-17(2)8-14(15-5-4-12(20)10-19-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10,20H,1-2H3
InChIKeyIHJHKOYIKNSUOJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.26
Rot. Bonds1

About 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (PubChem CID 19895642) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
PubChem CID19895642
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccc(O)cn2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H14N2O2/c1-17(2)8-14(15-5-4-12(20)10-19-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10,20H,1-2H3
InChIKeyIHJHKOYIKNSUOJ-UHFFFAOYSA-N
XLogP3.26
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (CID 19895642) is 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(c2ccc(O)cn2)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is IHJHKOYIKNSUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-17(2)8-14(15-5-4-12(20)10-19-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10,20H,1-2H3.
What are the key properties of 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 278.31 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 19895642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).