[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol

C13H5Cl5F3NO — CID 118826276

IUPAC[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl5F3NO/c14-7-6(8(15)10(17)11(18)9(7)16)12-4(3-23)1-5(2-22-12)13(19,20)21/h1-2,23H,3H2
InChIKeyXTZSSEPSHYHPNC-UHFFFAOYSA-N
MW425.45 g/mol
LogP6.53
Rot. Bonds2

About [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol

[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118826276) has the molecular formula C13H5Cl5F3NO and a molecular weight of 425.45 g/mol. Its IUPAC name is [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118826276
Molecular FormulaC13H5Cl5F3NO
Molecular Weight425.45 g/mol
Exact Mass422.88
IUPAC Name[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl5F3NO/c14-7-6(8(15)10(17)11(18)9(7)16)12-4(3-23)1-5(2-22-12)13(19,20)21/h1-2,23H,3H2
InChIKeyXTZSSEPSHYHPNC-UHFFFAOYSA-N
XLogP6.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.45
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
2-(2,3,6-trichlorophenyl)-5-(trifluoromethyl)pyridin-3-ol
CID 133092660
2-[2-(2,3-dichlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118819248
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methylpyrazol-4-yl]methanol
CID 66439207
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
CID 134619774
[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
CID 134618094
2-(3,5-dichlorophenyl)-5-(trifluoromethyl)pyrimidine
CID 118830739
3-chloro-2-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethenyl]-5-(trifluoromethyl)pyridine
CID 53396566
[5-amino-2-(2,6-dichlorophenyl)-3-pyridinyl]methanol
CID 133087406
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanethioamide
CID 91664064

Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol (CID 118826276) is [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is OCc1cc(C(F)(F)F)cnc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is XTZSSEPSHYHPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl5F3NO/c14-7-6(8(15)10(17)11(18)9(7)16)12-4(3-23)1-5(2-22-12)13(19,20)21/h1-2,23H,3H2.
What are the key properties of [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol?
[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 425.45 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118826276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).