(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride

C10H5Cl2NO2 — CID 39255868

IUPAC(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride
SMILESN#C/C(=C/c1cc(Cl)ccc1O)C(=O)Cl
InChIInChI=1S/C10H5Cl2NO2/c11-8-1-2-9(14)6(4-8)3-7(5-13)10(12)15/h1-4,14H/b7-3-
InChIKeySYUFXKAMUOECCA-CLTKARDFSA-N
MW242.06 g/mol
LogP2.72
Rot. Bonds2

About (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride (PubChem CID 39255868) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride
PubChem CID39255868
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride
SMILESN#C/C(=C/c1cc(Cl)ccc1O)C(=O)Cl
InChIInChI=1S/C10H5Cl2NO2/c11-8-1-2-9(14)6(4-8)3-7(5-13)10(12)15/h1-4,14H/b7-3-
InChIKeySYUFXKAMUOECCA-CLTKARDFSA-N
XLogP2.72
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enamide
CID 5383858
2-[(5-chloro-2-hydroxyphenyl)methylidene]propanedinitrile
CID 21443
3-(2-bromo-5-chlorophenyl)-2-cyanoprop-2-enamide
CID 71991679
(E)-3-(5-bromo-2-hydroxyphenyl)-N-[(3-chlorophenyl)methyl]-2-cyanoprop-2-enamide
CID 46371034
2-[(2,4-dichlorophenyl)methylidene]-4-methyl-3-oxopentanenitrile
CID 47241595
(E)-3-(5-chloro-2-hydroxyphenyl)-2-cyano-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)prop-2-enamide
CID 21382552
3-(5-chloro-2-hydroxyphenyl)prop-2-enenitrile
CID 169483116
(E)-N-(4-chlorophenyl)-2-cyano-3-(3,5-dichloro-2-hydroxyphenyl)prop-2-enamide
CID 1494373
2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoyl chloride
CID 76532835
3-(3-bromo-5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoic acid
CID 22683222
(E)-2-cyano-3-(2,3,5-trichlorophenyl)prop-2-enoic acid
CID 67417367
(E)-3-(5-chloro-1H-indol-3-yl)-2-cyanoprop-2-enoic acid
CID 19772755

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride?
The IUPAC name of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride (CID 39255868) is (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride.
What is the SMILES notation for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride?
The canonical SMILES for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride is N#C/C(=C/c1cc(Cl)ccc1O)C(=O)Cl.
What is the InChIKey of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride?
The InChIKey is SYUFXKAMUOECCA-CLTKARDFSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-8-1-2-9(14)6(4-8)3-7(5-13)10(12)15/h1-4,14H/b7-3-.
What are the key properties of (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride?
(Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride has a molecular weight of 242.06 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(5-chloro-2-hydroxyphenyl)-2-cyanoprop-2-enoyl chloride is sourced from PubChem (CID 39255868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).