[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol

C12H7Cl3FNO — CID 134636305

IUPAC[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(F)ncc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO/c13-9-1-6(2-10(14)12(9)15)8-4-17-11(16)3-7(8)5-18/h1-4,18H,5H2
InChIKeyLYOGPRXORZIMIM-UHFFFAOYSA-N
MW306.55 g/mol
LogP4.34
Rot. Bonds2

About [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol

[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol (PubChem CID 134636305) has the molecular formula C12H7Cl3FNO and a molecular weight of 306.55 g/mol. Its IUPAC name is [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
PubChem CID134636305
Molecular FormulaC12H7Cl3FNO
Molecular Weight306.55 g/mol
Exact Mass304.96
IUPAC Name[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(F)ncc1-c1cc(Cl)c(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO/c13-9-1-6(2-10(14)12(9)15)8-4-17-11(16)3-7(8)5-18/h1-4,18H,5H2
InChIKeyLYOGPRXORZIMIM-UHFFFAOYSA-N
XLogP4.34
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792
2-fluoro-5-(3,4,5-trichlorophenyl)pyridine
CID 133089947
[5-amino-2-(3,4,5-trichlorophenyl)-3-pyridinyl]methanol
CID 134637818
[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
CID 134618094
[2-fluoro-5-(trifluoromethyl)-4-pyridinyl]methanol
CID 118704338
2-[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 133089726
2-[6-fluoro-3-(3,4,5-trichlorophenyl)-2-pyridinyl]acetic acid
CID 133090419
2-chloro-4-iodo-5-(3,4,5-trichlorophenyl)pyridine
CID 118999375
[2,5-bis(3-fluorophenyl)-4-pyridinyl]methanol
CID 131870607
[3-chloro-2-(3,4,5-trichlorophenyl)phenyl]methanol
CID 134630647
[4-(3,4-dichlorophenyl)-2-fluorophenyl]methanol
CID 118801795
4,5-bis(2,3-dichlorophenyl)-2-fluoropyridine
CID 133091201

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol (CID 134636305) is [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol is OCc1cc(F)ncc1-c1cc(Cl)c(Cl)c(Cl)c1.
What is the InChIKey of [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol?
The InChIKey is LYOGPRXORZIMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO/c13-9-1-6(2-10(14)12(9)15)8-4-17-11(16)3-7(8)5-18/h1-4,18H,5H2.
What are the key properties of [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol?
[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol has a molecular weight of 306.55 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134636305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).