(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid

C10H5Cl3F3N3O2 — CID 6505731

IUPAC(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid
SMILESO=C(O)/C(Cl)=C(Cl)\C=N/Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5Cl3F3N3O2/c11-5-1-4(10(14,15)16)2-17-8(5)19-18-3-6(12)7(13)9(20)21/h1-3H,(H,17,19)(H,20,21)/b7-6-,18-3-
InChIKeyPEBHUEXAFKFJHK-PGJIAXESSA-N
MW362.52 g/mol
LogP3.93
Rot. Bonds4

About (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid

(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid (PubChem CID 6505731) has the molecular formula C10H5Cl3F3N3O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid.

Molecular Properties

Compound Name(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid
PubChem CID6505731
Molecular FormulaC10H5Cl3F3N3O2
Molecular Weight362.52 g/mol
Exact Mass360.94
IUPAC Name(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid
SMILESO=C(O)/C(Cl)=C(Cl)\C=N/Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C10H5Cl3F3N3O2/c11-5-1-4(10(14,15)16)2-17-8(5)19-18-3-6(12)7(13)9(20)21/h1-3H,(H,17,19)(H,20,21)/b7-6-,18-3-
InChIKeyPEBHUEXAFKFJHK-PGJIAXESSA-N
XLogP3.93
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid with MolForge

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]oxyacetic acid
CID 115572196
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641
2,6-dibromo-4-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]phenol
CID 4616912
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-methylbutanoic acid
CID 64701177
3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-4-hydroxy-6-methylpyran-2-one;N-methylmethanamine
CID 137208519
1-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 4026008
1-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]naphthalen-2-ol
CID 135614773
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]-4-phenylbutanoic acid
CID 3806120
2-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-2-ethylbutanoic acid
CID 115430013
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]formamide
CID 70973027
3-[(E)-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]methyl]-2-benzofuran-1-ol
CID 135778423
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid?
The IUPAC name of (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid (CID 6505731) is (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid.
What is the SMILES notation for (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid?
The canonical SMILES for (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid is O=C(O)/C(Cl)=C(Cl)\C=N/Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid?
The InChIKey is PEBHUEXAFKFJHK-PGJIAXESSA-N. The full InChI is InChI=1S/C10H5Cl3F3N3O2/c11-5-1-4(10(14,15)16)2-17-8(5)19-18-3-6(12)7(13)9(20)21/h1-3H,(H,17,19)(H,20,21)/b7-6-,18-3-.
What are the key properties of (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid?
(Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid has a molecular weight of 362.52 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-2,3-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]hydrazinylidene]but-2-enoic acid is sourced from PubChem (CID 6505731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).