2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine

C12H5Cl5FNO — CID 133089961

IUPAC2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESCOc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(F)n1
InChIInChI=1S/C12H5Cl5FNO/c1-20-6-3-4(2-5(18)19-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3H,1H3
InChIKeyZPYKWQKNBVTHQP-UHFFFAOYSA-N
MW375.44 g/mol
LogP6.16
Rot. Bonds2

About 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine

2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine (PubChem CID 133089961) has the molecular formula C12H5Cl5FNO and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine
PubChem CID133089961
Molecular FormulaC12H5Cl5FNO
Molecular Weight375.44 g/mol
Exact Mass372.88
IUPAC Name2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine
SMILESCOc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(F)n1
InChIInChI=1S/C12H5Cl5FNO/c1-20-6-3-4(2-5(18)19-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3H,1H3
InChIKeyZPYKWQKNBVTHQP-UHFFFAOYSA-N
XLogP6.16
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134618418
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140
2,4-dichloro-6-methoxypyridine
CID 59872472
4-fluoro-6-methoxy-N-methylpyrimidin-2-amine
CID 14717233
4-(3-chloro-4-fluorophenyl)-6-methoxypyrimidin-2-amine
CID 114052976
2-[2-fluoro-6-(trideuteriomethoxy)-4-pyridinyl]phenol
CID 154598887
2-chloro-6-methoxy-4-(2,3,4-trichlorophenyl)pyridine
CID 119013717
2-chloro-4-(4-isocyanophenyl)-6-methoxypyridine
CID 140744754
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 134620758
3-chloro-2,6-dimethoxypyridin-4-amine
CID 169292016
2-(4-fluorophenyl)-6-methoxypyrimidin-4-amine
CID 83864400

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The IUPAC name of 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine (CID 133089961) is 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine.
What is the SMILES notation for 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The canonical SMILES for 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine is COc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(F)n1.
What is the InChIKey of 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
The InChIKey is ZPYKWQKNBVTHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl5FNO/c1-20-6-3-4(2-5(18)19-6)7-8(13)10(15)12(17)11(16)9(7)14/h2-3H,1H3.
What are the key properties of 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine?
2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine has a molecular weight of 375.44 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-4-(2,3,4,5,6-pentachlorophenyl)pyridine is sourced from PubChem (CID 133089961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).