2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine

C12H7Cl3N2O3 — CID 83269017

IUPAC2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H7Cl3N2O3/c1-6-5-16-11(15)4-10(6)20-12-8(13)2-7(17(18)19)3-9(12)14/h2-5H,1H3
InChIKeySZQQJTRKPWWZLY-UHFFFAOYSA-N
MW333.56 g/mol
LogP5.05
Rot. Bonds3

About 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine

2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine (PubChem CID 83269017) has the molecular formula C12H7Cl3N2O3 and a molecular weight of 333.56 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine.

Molecular Properties

Compound Name2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
PubChem CID83269017
Molecular FormulaC12H7Cl3N2O3
Molecular Weight333.56 g/mol
Exact Mass331.95
IUPAC Name2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine
SMILESCc1cnc(Cl)cc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C12H7Cl3N2O3/c1-6-5-16-11(15)4-10(6)20-12-8(13)2-7(17(18)19)3-9(12)14/h2-5H,1H3
InChIKeySZQQJTRKPWWZLY-UHFFFAOYSA-N
XLogP5.05
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.56
LogP ≤ 55.05
H-Bond Donors ≤ 50
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

2-chloro-4-(2-chloro-4-nitrophenoxy)-5-methylpyridine
CID 83268344
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
2-chloro-4-(2-methoxy-5-nitrophenoxy)-5-methylpyridine
CID 83268776
1,3-dichloro-2-[5-(chloromethyl)-2-methylphenoxy]-5-nitrobenzene
CID 105406068
[4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyrimidin-2-yl]hydrazine
CID 80920125
2-chloro-4-(4-methoxy-3-nitrophenoxy)-5-methylpyridine
CID 103201633
2-chloro-6-(2,6-dichloro-4-nitrophenoxy)pyrazine
CID 62097953
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
2-chloro-4-(3,5-dichlorophenoxy)-5-methylpyridine
CID 83269241
2,3,5-trichloro-6-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 102749646

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine?
The IUPAC name of 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine (CID 83269017) is 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine.
What is the SMILES notation for 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine?
The canonical SMILES for 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine is Cc1cnc(Cl)cc1Oc1c(Cl)cc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine?
The InChIKey is SZQQJTRKPWWZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3N2O3/c1-6-5-16-11(15)4-10(6)20-12-8(13)2-7(17(18)19)3-9(12)14/h2-5H,1H3.
What are the key properties of 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine?
2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine has a molecular weight of 333.56 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dichloro-4-nitrophenoxy)-5-methylpyridine is sourced from PubChem (CID 83269017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).