2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane

C10H13ClN2O3 — CID 144796230

IUPAC2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane
SMILESC=C(OC)c1cnc(Cl)c([N+](=O)[O-])c1.CC
InChIInChI=1S/C8H7ClN2O3.C2H6/c1-5(14-2)6-3-7(11(12)13)8(9)10-4-6;1-2/h3-4H,1H2,2H3;1-2H3
InChIKeyKMQZGWMSCAOILK-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane

2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane (PubChem CID 144796230) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane.

Molecular Properties

Compound Name2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane
PubChem CID144796230
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane
SMILESC=C(OC)c1cnc(Cl)c([N+](=O)[O-])c1.CC
InChIInChI=1S/C8H7ClN2O3.C2H6/c1-5(14-2)6-3-7(11(12)13)8(9)10-4-6;1-2/h3-4H,1H2,2H3;1-2H3
InChIKeyKMQZGWMSCAOILK-UHFFFAOYSA-N
XLogP3.29
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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-chloro-5-methyl-3-nitropyridine
CID 139082293
2-chloro-5-fluoro-3-nitropyridine
CID 10773626
methyl 6-methoxy-5-nitropyridine-3-carboxylate
CID 2746880
(1R)-1-(6-chloro-5-nitro-3-pyridinyl)-N-methylethanamine
CID 130699268
3-(6-chloro-5-nitro-3-pyridinyl)-N-methylprop-2-en-1-amine
CID 169473911
2-chloro-5-(fluoromethyl)-3-nitropyridine
CID 174286829
6-methoxy-5-nitropyridine-3-carboxylic acid
CID 79001953
methyl 6-amino-5-nitropyridine-3-carboxylate;2-methylpropane
CID 143984971
methyl 6-(4-chlorophenyl)sulfanyl-5-nitropyridine-3-carboxylate
CID 2746870
methyl 4-chloro-5-nitropyridine-2-carboxylate
CID 130849623
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
4-bromo-1-(6-chloro-5-nitro-3-pyridinyl)butane-1,2-diol
CID 171892378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane?
The IUPAC name of 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane (CID 144796230) is 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane.
What is the SMILES notation for 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane?
The canonical SMILES for 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane is C=C(OC)c1cnc(Cl)c([N+](=O)[O-])c1.CC.
What is the InChIKey of 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane?
The InChIKey is KMQZGWMSCAOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O3.C2H6/c1-5(14-2)6-3-7(11(12)13)8(9)10-4-6;1-2/h3-4H,1H2,2H3;1-2H3.
What are the key properties of 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane?
2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane has a molecular weight of 244.68 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-methoxyethenyl)-3-nitropyridine;ethane is sourced from PubChem (CID 144796230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).