3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine

C19H15N3O — CID 139038967

IUPAC3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1
InChIInChI=1S/C12H10N2.C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;8-5-6-2-1-3-7(9)4-6/h1-10H;1-4,9H/b2-1+;
InChIKeyCXTSMFLBLCXCHU-TYYBGVCCSA-N
MW301.35 g/mol
LogP3.91
Rot. Bonds2

About 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine

3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine (PubChem CID 139038967) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine.

Molecular Properties

Compound Name3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine
PubChem CID139038967
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine
SMILESC(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1
InChIInChI=1S/C12H10N2.C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;8-5-6-2-1-3-7(9)4-6/h1-10H;1-4,9H/b2-1+;
InChIKeyCXTSMFLBLCXCHU-TYYBGVCCSA-N
XLogP3.91
TPSA69.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
7-Isoquinolinol
CID 459767
Alpha-(2-pyridylmethylene)-O-cresol
CID 642844
Pyridinium, 4-[2-(4-hydroxyphenyl)ethenyl]-1-methyl-
CID 209741
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
4''-(2-Methyl-1-(pyridin-4-yl)prop-1-enyl)biphenyl-3-ol
CID 46854605
3-(4-Hydroxybenzylidene)anabaseine
CID 135530053
3-[2-(2-Pyridinyl)ethyl]phenol
CID 226651

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The IUPAC name of 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine (CID 139038967) is 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine.
What is the SMILES notation for 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The canonical SMILES for 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine is C(=C/c1ccncc1)\c1ccncc1.N#Cc1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
The InChIKey is CXTSMFLBLCXCHU-TYYBGVCCSA-N. The full InChI is InChI=1S/C12H10N2.C7H5NO/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;8-5-6-2-1-3-7(9)4-6/h1-10H;1-4,9H/b2-1+;.
What are the key properties of 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine?
3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine has a molecular weight of 301.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzonitrile;4-[(E)-2-pyridin-4-ylethenyl]pyridine is sourced from PubChem (CID 139038967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).