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

C18H5Cl10NO — CID 134618094

IUPAC[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ncc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)5-2-29-6(1-4(5)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2
InChIKeyQLDXCJDVOIIMTA-UHFFFAOYSA-N
MW605.77 g/mol
LogP10.44
Rot. Bonds3

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

[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol (PubChem CID 134618094) has the molecular formula C18H5Cl10NO and a molecular weight of 605.77 g/mol. Its IUPAC name is [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
PubChem CID134618094
Molecular FormulaC18H5Cl10NO
Molecular Weight605.77 g/mol
Exact Mass600.73
IUPAC Name[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
SMILESOCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ncc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)5-2-29-6(1-4(5)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2
InChIKeyQLDXCJDVOIIMTA-UHFFFAOYSA-N
XLogP10.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.77
LogP ≤ 510.44
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'}

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Related Compounds

[5-chloro-2-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
CID 133093742
[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
CID 134619774
[2-fluoro-5-(3,4,5-trichlorophenyl)-4-pyridinyl]methanol
CID 134636305
[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134623898
[2-(2,5-dichlorophenyl)-5-methyl-4-pyridinyl]methanol
CID 118841793
[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826276
[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
CID 134620848
[2-amino-5-(2,3,4,5,6-pentafluorophenyl)-4-pyridinyl]methanol
CID 133086551
[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134626421
[2,5-bis(3-fluorophenyl)-4-pyridinyl]methanol
CID 131870607
2-[5-amino-2-(2,3,6-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134636998
2-[5-fluoro-2-(2,3,5-trichlorophenyl)-4-pyridinyl]acetic acid
CID 134637610

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol?
The IUPAC name of [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol (CID 134618094) is [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol?
The canonical SMILES for [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol is OCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ncc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol?
The InChIKey is QLDXCJDVOIIMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)5-2-29-6(1-4(5)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2.
What are the key properties of [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol?
[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol has a molecular weight of 605.77 g/mol, XLogP of 10.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol is sourced from PubChem (CID 134618094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).