(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid

C10H8ClN3O3 — CID 175458041

IUPAC(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\N=[N+]=[N-])C(=O)O)c1Cl
InChIInChI=1S/C10H8ClN3O3/c1-17-8-4-2-3-6(9(8)11)5-7(10(15)16)13-14-12/h2-5H,1H3,(H,15,16)/b7-5-
InChIKeyLFKHDBKCNUQMCF-ALCCZGGFSA-N
MW253.65 g/mol
LogP3.08
Rot. Bonds4

About (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid

(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid (PubChem CID 175458041) has the molecular formula C10H8ClN3O3 and a molecular weight of 253.65 g/mol. Its IUPAC name is (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid
PubChem CID175458041
Molecular FormulaC10H8ClN3O3
Molecular Weight253.65 g/mol
Exact Mass253.03
IUPAC Name(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid
SMILESCOc1cccc(/C=C(\N=[N+]=[N-])C(=O)O)c1Cl
InChIInChI=1S/C10H8ClN3O3/c1-17-8-4-2-3-6(9(8)11)5-7(10(15)16)13-14-12/h2-5H,1H3,(H,15,16)/b7-5-
InChIKeyLFKHDBKCNUQMCF-ALCCZGGFSA-N
XLogP3.08
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid 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

(Z)-2-azido-3-(5-bromo-2,3-dimethoxyphenyl)prop-2-enoic acid
CID 137376119
(E)-2-azido-3-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 90405180
(E)-2-azido-3-(2-bromo-4-chlorophenyl)prop-2-enoic acid
CID 135358484
methyl 2-azido-3-(2-ethoxyphenyl)prop-2-enoate
CID 86587267
2-azido-3-(5-chlorothiophen-3-yl)prop-2-enoic acid
CID 139995164
methyl (E)-2-azido-3-(3,4-dichloro-2-phenoxyphenyl)prop-2-enoate
CID 135358812
(Z)-2-azido-4-(3-methoxyphenyl)but-2-enoic acid
CID 174672426
methyl (E)-2-azido-3-(2-chloro-4-phenoxyphenyl)prop-2-enoate
CID 135358693
methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl (Z)-2-azido-3-(4-chlorophenyl)prop-2-enoate
CID 13399245
(Z)-2-azido-3-(2-bromophenyl)-1-phenylprop-2-en-1-one
CID 141419915
ethyl (Z)-2-azido-3-(3-chloro-4-methoxyphenyl)prop-2-enoate
CID 130420505

Frequently Asked Questions

What is the IUPAC name of (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid (CID 175458041) is (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid is COc1cccc(/C=C(\N=[N+]=[N-])C(=O)O)c1Cl.
What is the InChIKey of (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid?
The InChIKey is LFKHDBKCNUQMCF-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H8ClN3O3/c1-17-8-4-2-3-6(9(8)11)5-7(10(15)16)13-14-12/h2-5H,1H3,(H,15,16)/b7-5-.
What are the key properties of (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid?
(Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid has a molecular weight of 253.65 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-azido-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 175458041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).