N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

C10H10ClN3O3 — CID 169465794

IUPACN-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10ClN3O3/c1-7(15)12-4-2-3-8-5-9(14(16)17)10(11)13-6-8/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyRJJYOYZWKKASOA-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.79
Rot. Bonds4

About N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide

N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (PubChem CID 169465794) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
PubChem CID169465794
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC NameN-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cnc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C10H10ClN3O3/c1-7(15)12-4-2-3-8-5-9(14(16)17)10(11)13-6-8/h2-3,5-6H,4H2,1H3,(H,12,15)
InChIKeyRJJYOYZWKKASOA-UHFFFAOYSA-N
XLogP1.79
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', '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

3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
N-[3-(3-fluoro-4-nitrophenyl)prop-2-enyl]acetamide
CID 169465865
4-(6-methyl-5-nitro-3-pyridinyl)but-3-enoic acid
CID 170483903
N-[3-[2-(methylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465232
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(5-bromo-3-pyridinyl)prop-2-enyl]acetamide
CID 169466482
9H-fluoren-9-ylmethyl N-[4-(6-chloro-5-nitro-3-pyridinyl)but-3-enyl]carbamate
CID 170492594
N-[3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enyl]acetamide
CID 169465538
5-(3-acetamidoprop-1-enyl)-2-aminopyridine-3-carboxylic acid
CID 169465798
N-[3-(2-methoxy-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169466073
N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
CID 169466581
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide (CID 169465794) is N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cnc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
The InChIKey is RJJYOYZWKKASOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c1-7(15)12-4-2-3-8-5-9(14(16)17)10(11)13-6-8/h2-3,5-6H,4H2,1H3,(H,12,15).
What are the key properties of N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide?
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide has a molecular weight of 255.66 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).