2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine

C13H10BrClN2O4 — CID 103523989

IUPAC2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine
SMILESCOc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])c(OC)c1Br
InChIInChI=1S/C13H10BrClN2O4/c1-20-9-5-3-7(13(21-2)11(9)14)12-8(17(18)19)4-6-10(15)16-12/h3-6H,1-2H3
InChIKeyUMMQPSKKCWYEAN-UHFFFAOYSA-N
MW373.59 g/mol
LogP4.09
Rot. Bonds4

About 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine

2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine (PubChem CID 103523989) has the molecular formula C13H10BrClN2O4 and a molecular weight of 373.59 g/mol. Its IUPAC name is 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine.

Molecular Properties

Compound Name2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine
PubChem CID103523989
Molecular FormulaC13H10BrClN2O4
Molecular Weight373.59 g/mol
Exact Mass371.95
IUPAC Name2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine
SMILESCOc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])c(OC)c1Br
InChIInChI=1S/C13H10BrClN2O4/c1-20-9-5-3-7(13(21-2)11(9)14)12-8(17(18)19)4-6-10(15)16-12/h3-6H,1-2H3
InChIKeyUMMQPSKKCWYEAN-UHFFFAOYSA-N
XLogP4.09
TPSA74.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

5-bromo-2-chloro-6-methoxyquinoline
CID 22139688
3-bromo-1-methoxy-2-methyl-4-nitrobenzene
CID 53416656
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
2-bromo-6-methoxy-3-nitrobenzenethiol
CID 171008206
5-(3-bromo-2,4-dimethoxyphenyl)-6-methylpyridin-2-amine
CID 103523655
6-(3-bromo-2,4-dimethoxyphenyl)-N,2,5-trimethylpyrimidin-4-amine
CID 103524053
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-2-(methoxymethyl)pyrimidine
CID 103523993
methyl 6-chloro-3-nitropyridine-2-carboxylate
CID 122129855
2-(2-bromo-3-methoxy-6-nitrophenyl)acetaldehyde
CID 172609405
1-(2-bromo-3-methoxy-6-nitroanilino)-3-chloropropan-2-ol
CID 168640279
1-bromo-4-chloro-2-methoxy-5-nitrobenzene
CID 126419830
2-chloro-6-methoxy-3-nitrobenzenethiol
CID 170559954

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine?
The IUPAC name of 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine (CID 103523989) is 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine.
What is the SMILES notation for 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine?
The canonical SMILES for 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine is COc1ccc(-c2nc(Cl)ccc2[N+](=O)[O-])c(OC)c1Br.
What is the InChIKey of 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine?
The InChIKey is UMMQPSKKCWYEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O4/c1-20-9-5-3-7(13(21-2)11(9)14)12-8(17(18)19)4-6-10(15)16-12/h3-6H,1-2H3.
What are the key properties of 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine?
2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine has a molecular weight of 373.59 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,4-dimethoxyphenyl)-6-chloro-3-nitropyridine is sourced from PubChem (CID 103523989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).