(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one

C14H10N2O3 — CID 99927331

IUPAC(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C14H10N2O3/c17-14(12-6-3-4-10-15-12)9-8-11-5-1-2-7-13(11)16(18)19/h1-10H/b9-8-
InChIKeyRJADSRDGVQDVGW-HJWRWDBZSA-N
MW254.25 g/mol
LogP2.89
Rot. Bonds4

About (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one

(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one (PubChem CID 99927331) has the molecular formula C14H10N2O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
PubChem CID99927331
Molecular FormulaC14H10N2O3
Molecular Weight254.25 g/mol
Exact Mass254.07
IUPAC Name(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1
InChIInChI=1S/C14H10N2O3/c17-14(12-6-3-4-10-15-12)9-8-11-5-1-2-7-13(11)16(18)19/h1-10H/b9-8-
InChIKeyRJADSRDGVQDVGW-HJWRWDBZSA-N
XLogP2.89
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
1-(4-bromophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 4811006
(E)-1-(4-methyl-1,3-thiazol-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 46428352
3-(2-nitrophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 73422093
(Z)-5-(2-nitrophenyl)-3-oxopent-4-enoic acid
CID 70083415
(E)-1-(5-chlorothiophen-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 6214450
(E)-1-(5-methylfuran-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 24506543
(E)-1-(5-bromothiophen-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 8833211
(E)-3-(2-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 6214037
(E)-1-(1,3-dimethylpyrazol-4-yl)-3-(2-nitrophenyl)prop-2-en-1-one
CID 19554931

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one (CID 99927331) is (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one is O=C(/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1.
What is the InChIKey of (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one?
The InChIKey is RJADSRDGVQDVGW-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H10N2O3/c17-14(12-6-3-4-10-15-12)9-8-11-5-1-2-7-13(11)16(18)19/h1-10H/b9-8-.
What are the key properties of (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one?
(Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one has a molecular weight of 254.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-nitrophenyl)-1-pyridin-2-ylprop-2-en-1-one is sourced from PubChem (CID 99927331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).