(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C16H11N3O4 — CID 92908083

IUPAC(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12
InChIInChI=1S/C16H11N3O4/c20-15(21)8-7-13-16(17-14-6-1-2-9-18(13)14)11-4-3-5-12(10-11)19(22)23/h1-10H,(H,20,21)/b8-7-
InChIKeyITJRULPLDXQEKP-FPLPWBNLSA-N
MW309.28 g/mol
LogP3.01
Rot. Bonds4

About (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 92908083) has the molecular formula C16H11N3O4 and a molecular weight of 309.28 g/mol. Its IUPAC name is (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID92908083
Molecular FormulaC16H11N3O4
Molecular Weight309.28 g/mol
Exact Mass309.07
IUPAC Name(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12
InChIInChI=1S/C16H11N3O4/c20-15(21)8-7-13-16(17-14-6-1-2-9-18(13)14)11-4-3-5-12(10-11)19(22)23/h1-10H,(H,20,21)/b8-7-
InChIKeyITJRULPLDXQEKP-FPLPWBNLSA-N
XLogP3.01
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202
3-fluoro-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 122403866
(E)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023676
(Z)-3-[8-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enamide
CID 170877528
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195818
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2757080
(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195836
1-[[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7023786
4-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine
CID 58278225

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 92908083) is (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is O=C(O)/C=C\c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn12.
What is the InChIKey of (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is ITJRULPLDXQEKP-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H11N3O4/c20-15(21)8-7-13-16(17-14-6-1-2-9-18(13)14)11-4-3-5-12(10-11)19(22)23/h1-10H,(H,20,21)/b8-7-.
What are the key properties of (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 309.28 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 92908083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).