(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid

C8H8N2O2 — CID 95473874

IUPAC(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
SMILESNc1ccc(/C=C\C(=O)O)cn1
InChIInChI=1S/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2-
InChIKeyRKTFOZFRTWRSLT-RQOWECAXSA-N
MW164.16 g/mol
LogP0.76
Rot. Bonds2

About (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid

(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid (PubChem CID 95473874) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
PubChem CID95473874
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid
SMILESNc1ccc(/C=C\C(=O)O)cn1
InChIInChI=1S/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2-
InChIKeyRKTFOZFRTWRSLT-RQOWECAXSA-N
XLogP0.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(6-carbamoyl-3-pyridinyl)prop-2-enoic acid
CID 62958855
5-[(E)-3-methyliminobut-1-enyl]pyridin-2-amine
CID 123864550
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
3-(6-tert-butyl-3-pyridinyl)prop-2-enoic acid
CID 53416025
3-[6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 2783389
3-(5-amino-6-fluoro-3-pyridinyl)prop-2-enoic acid
CID 169460285
(E)-3-[6-[(dimethylamino)methyl]-3-pyridinyl]prop-2-enoic acid
CID 18416271
(E)-3-(6-ethoxy-3-pyridinyl)prop-2-enoic acid
CID 67696229
3-[6-(methylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978782
(E)-3-(6-amino-3-pyridinyl)-N-(N-ethenyl-C-methylcarbonimidoyl)prop-2-enamide
CID 126612003
tert-butyl carbamate;methyl (E)-3-(6-amino-3-pyridinyl)prop-2-enoate
CID 144636845
(E)-3-[6-[bis(prop-2-enyl)amino]-3-pyridinyl]prop-2-enoic acid
CID 80633168

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid (CID 95473874) is (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid is Nc1ccc(/C=C\C(=O)O)cn1.
What is the InChIKey of (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid?
The InChIKey is RKTFOZFRTWRSLT-RQOWECAXSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1-5H,(H2,9,10)(H,11,12)/b4-2-.
What are the key properties of (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid?
(Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid has a molecular weight of 164.16 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-amino-3-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 95473874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).