2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile

C15H11ClN2O — CID 11659070

IUPAC2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile
SMILESC=C(C#N)C(O)c1cc(-c2ccccc2)cnc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10(8-17)14(19)13-7-12(9-18-15(13)16)11-5-3-2-4-6-11/h2-7,9,14,19H,1H2
InChIKeyVGHFBGUHJQIEAR-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.52
Rot. Bonds3

About 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile

2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile (PubChem CID 11659070) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile.

Molecular Properties

Compound Name2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile
PubChem CID11659070
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile
SMILESC=C(C#N)C(O)c1cc(-c2ccccc2)cnc1Cl
InChIInChI=1S/C15H11ClN2O/c1-10(8-17)14(19)13-7-12(9-18-15(13)16)11-5-3-2-4-6-11/h2-7,9,14,19H,1H2
InChIKeyVGHFBGUHJQIEAR-UHFFFAOYSA-N
XLogP3.52
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Parinol
CID 28768
Phenyl(pyridin-3-yl)methanol
CID 234839
(+)--5-Hydroxy-3-phenyl-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-9-carbonitrile
CID 10018269
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719
2-Hydroxy-5-phenyl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-12-carbonitrile
CID 10448221
5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2-pyridin-3-yl-pentanenitrile
CID 10809142
1-{[6-Chloro-5-(hydroxymethyl)pyridin-3-yl]methyl}-4-(4-cyanophenyl)-2,5-dimethyl-1H-pyrrole-3-carbonitrile
CID 11667973
1-[[6-Chloro-5-(hydroxymethyl)-3-pyridinyl]methyl]-4-(4-cyanophenyl)-5-methylpyrrole-3-carbonitrile
CID 24784464
2-[Hydroxy(pyridin-3-yl)methyl]prop-2-enenitrile
CID 10464594
(4-Chlorophenyl)(pyridin-3-yl)methanol
CID 240724
1-(2-Chlorophenyl)-2-pyridin-4-ylethanol
CID 224943
2-Hydroxy-5-(3-methylphenyl)-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-12-carbonitrile
CID 10041930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile?
The IUPAC name of 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile (CID 11659070) is 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile.
What is the SMILES notation for 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile?
The canonical SMILES for 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile is C=C(C#N)C(O)c1cc(-c2ccccc2)cnc1Cl.
What is the InChIKey of 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile?
The InChIKey is VGHFBGUHJQIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c1-10(8-17)14(19)13-7-12(9-18-15(13)16)11-5-3-2-4-6-11/h2-7,9,14,19H,1H2.
What are the key properties of 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile?
2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile has a molecular weight of 270.72 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-phenyl-3-pyridinyl)-hydroxymethyl]prop-2-enenitrile is sourced from PubChem (CID 11659070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).