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

C18H5Cl10NO — CID 134623898

IUPAC[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)4-1-2-5(29-6(4)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2
InChIKeyXKMBZCIPRMDLAH-UHFFFAOYSA-N
MW605.77 g/mol
LogP10.44
Rot. Bonds3

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

[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol (PubChem CID 134623898) has the molecular formula C18H5Cl10NO and a molecular weight of 605.77 g/mol. Its IUPAC name is [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
PubChem CID134623898
Molecular FormulaC18H5Cl10NO
Molecular Weight605.77 g/mol
Exact Mass600.73
IUPAC Name[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)4-1-2-5(29-6(4)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2
InChIKeyXKMBZCIPRMDLAH-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

[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134626421
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
[6-methoxy-3-(2,4,6-trichlorophenyl)-2-pyridinyl]methanol
CID 134636475
[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
CID 134618094
[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 118999964
[3-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636826
3-amino-6-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134624256
(2,4-dichloro-3-quinolin-2-ylphenyl)methanol
CID 174860669
[3-chloro-5-(2,3,4-trichlorophenyl)-2-pyridinyl]methanol
CID 134636116
6-methoxy-5-(2,3,4,5,6-pentachlorophenyl)pyridine-2-carboxylic acid
CID 134631383
methyl 6-(2,3,4,5,6-pentachlorophenyl)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134635581
(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
CID 122623171

Frequently Asked Questions

What is the IUPAC name of [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol (CID 134623898) is [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol is OCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The InChIKey is XKMBZCIPRMDLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H5Cl10NO/c19-9-7(10(20)14(24)17(27)13(9)23)4-1-2-5(29-6(4)3-30)8-11(21)15(25)18(28)16(26)12(8)22/h1-2,30H,3H2.
What are the key properties of [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-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 [3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134623898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).