5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine

C12H8ClFN2O3 — CID 79733934

IUPAC5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C12H8ClFN2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3
InChIKeyYLQQAOROLBSNNV-UHFFFAOYSA-N
MW282.66 g/mol
LogP3.88
Rot. Bonds3

About 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine

5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine (PubChem CID 79733934) has the molecular formula C12H8ClFN2O3 and a molecular weight of 282.66 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
PubChem CID79733934
Molecular FormulaC12H8ClFN2O3
Molecular Weight282.66 g/mol
Exact Mass282.02
IUPAC Name5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine
SMILESCc1ccc([N+](=O)[O-])cc1Oc1ncc(Cl)cc1F
InChIInChI=1S/C12H8ClFN2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3
InChIKeyYLQQAOROLBSNNV-UHFFFAOYSA-N
XLogP3.88
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-methyl-5-nitrophenoxy)pyridine
CID 66233897
5-chloro-3-fluoro-2-(4-nitrophenoxy)pyridine
CID 79728734
2-chloro-5-methyl-4-(2-methyl-5-nitrophenoxy)pyridine
CID 83269016
5-chloro-2-(2,6-dichloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733335
5-bromo-2-chloro-4-(2-methyl-5-nitrophenoxy)pyrimidine
CID 79075514
3,5-dibromo-2-(2-methyl-5-nitrophenoxy)pyridine
CID 113413889
4-chloro-6-(2-methyl-5-nitrophenoxy)-5-nitropyrimidine
CID 62102493
3-bromo-5-chloro-2-(2-methoxy-4-nitrophenoxy)pyridine
CID 114837726
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469
5-chloro-2-(3-chloro-4-nitrophenoxy)-3-fluoropyridine
CID 79733624
3-chloro-6-(2-methyl-5-nitrophenoxy)pyridazine
CID 54915676
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine?
The IUPAC name of 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine (CID 79733934) is 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine.
What is the SMILES notation for 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine?
The canonical SMILES for 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine is Cc1ccc([N+](=O)[O-])cc1Oc1ncc(Cl)cc1F.
What is the InChIKey of 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine?
The InChIKey is YLQQAOROLBSNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O3/c1-7-2-3-9(16(17)18)5-11(7)19-12-10(14)4-8(13)6-15-12/h2-6H,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine?
5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine has a molecular weight of 282.66 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(2-methyl-5-nitrophenoxy)pyridine is sourced from PubChem (CID 79733934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).