(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid

C9H9F3N4O3 — CID 142618437

IUPAC(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(15-3-4)6(13)7(16-14)8(17)18/h1-3,16H,13-14H2,(H,17,18)/b7-6-
InChIKeyRZAXVIKXKCKCNU-SREVYHEPSA-N
MW278.19 g/mol
LogP0.16
Rot. Bonds4

About (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid

(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid (PubChem CID 142618437) has the molecular formula C9H9F3N4O3 and a molecular weight of 278.19 g/mol. Its IUPAC name is (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid
PubChem CID142618437
Molecular FormulaC9H9F3N4O3
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Name(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid
SMILESNN/C(C(=O)O)=C(\N)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(15-3-4)6(13)7(16-14)8(17)18/h1-3,16H,13-14H2,(H,17,18)/b7-6-
InChIKeyRZAXVIKXKCKCNU-SREVYHEPSA-N
XLogP0.16
TPSA123.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-2-hydrazinyl-3-[4-[5-(trifluoromethoxy)-2-pyridinyl]phenyl]sulfanylprop-2-enoic acid
CID 142618533
(E)-3-amino-2-hydrazinyl-3-[4-(trifluoromethoxy)phenoxy]prop-2-enoic acid
CID 142618625
N-(1-amino-2,3-dimethyl-1-oxobutan-2-yl)-5-(trifluoromethoxy)pyridine-2-carboxamide
CID 19860744
2-(1-fluoro-2-iodoethenyl)-5-(trifluoromethoxy)pyridine
CID 135125786
2-[4-(trifluoromethoxy)phenoxy]acetohydrazide
CID 2777305
ethyl (E)-3-amino-2-hydrazinyl-3-[4-[5-(trifluoromethoxy)-2-pyridinyl]phenyl]sulfanylprop-2-enoate
CID 142618529
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
(E)-3-amino-2-hydrazinyl-3-[[5-(trifluoromethoxy)-2,3-dihydro-1H-inden-2-yl]oxy]prop-2-enoic acid
CID 142617773
(E)-3-amino-2-hydrazinyl-3-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]sulfanylprop-2-enoic acid
CID 142618046
methyl 5-(2-bromo-1,1-difluoroethoxy)pyridine-2-carboxylate
CID 126715703
5-[4-(trifluoromethoxy)anilino]pyridine-2-carbothioamide
CID 115488112
[3-chloro-4-(trifluoromethoxy)phenyl]-[5-(trifluoromethoxy)-2-pyridinyl]methanone
CID 162509734

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid (CID 142618437) is (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid is NN/C(C(=O)O)=C(\N)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid?
The InChIKey is RZAXVIKXKCKCNU-SREVYHEPSA-N. The full InChI is InChI=1S/C9H9F3N4O3/c10-9(11,12)19-4-1-2-5(15-3-4)6(13)7(16-14)8(17)18/h1-3,16H,13-14H2,(H,17,18)/b7-6-.
What are the key properties of (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid?
(Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid has a molecular weight of 278.19 g/mol, XLogP of 0.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-hydrazinyl-3-[5-(trifluoromethoxy)-2-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 142618437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).