(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

C14H8Br2N2O — CID 135615702

IUPAC(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccccn1
InChIInChI=1S/C14H8Br2N2O/c15-11-6-9(14(19)12(16)7-11)5-10(8-17)13-3-1-2-4-18-13/h1-7,19H/b10-5+
InChIKeyOIXGILGQLXNJQZ-BJMVGYQFSA-N
MW380.04 g/mol
LogP4.38
Rot. Bonds2

About (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 135615702) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
PubChem CID135615702
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccccn1
InChIInChI=1S/C14H8Br2N2O/c15-11-6-9(14(19)12(16)7-11)5-10(8-17)13-3-1-2-4-18-13/h1-7,19H/b10-5+
InChIKeyOIXGILGQLXNJQZ-BJMVGYQFSA-N
XLogP4.38
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[5-bromo-2-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 4238044
3-naphthalen-1-yl-2-pyridin-2-ylprop-2-enenitrile
CID 2826034
3-(2,5-dimethylphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 5217687
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649
2,4-dibromo-6-[(E)-pyridin-2-yliminomethyl]phenol
CID 135458806
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 1365157
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(Z)-3-(1-benzofuran-2-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 17464363

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile (CID 135615702) is (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1cc(Br)cc(Br)c1O)c1ccccn1.
What is the InChIKey of (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is OIXGILGQLXNJQZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-11-6-9(14(19)12(16)7-11)5-10(8-17)13-3-1-2-4-18-13/h1-7,19H/b10-5+.
What are the key properties of (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 380.04 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dibromo-2-hydroxyphenyl)-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 135615702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).