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

C12H5Cl6NO — CID 134626421

IUPAC[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C12H5Cl6NO/c13-4-1-2-5(19-6(4)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2
InChIKeyKXGVGFIMBGPVQT-UHFFFAOYSA-N
MW391.90 g/mol
LogP6.16
Rot. Bonds2

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

[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol (PubChem CID 134626421) has the molecular formula C12H5Cl6NO and a molecular weight of 391.90 g/mol. Its IUPAC name is [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
PubChem CID134626421
Molecular FormulaC12H5Cl6NO
Molecular Weight391.90 g/mol
Exact Mass388.85
IUPAC Name[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
SMILESOCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C12H5Cl6NO/c13-4-1-2-5(19-6(4)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2
InChIKeyKXGVGFIMBGPVQT-UHFFFAOYSA-N
XLogP6.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.90
LogP ≤ 56.16
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

[3,6-bis(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol
CID 134623898
(3-chloro-6-methylsulfonyl-2-pyridinyl)methanol
CID 122623171
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
[3,6-bis(2,3,5-trichlorophenyl)-2-pyridinyl]methanol
CID 134637996
[2-chloro-6-(2,3,6-trichlorophenyl)-3-pyridinyl]methanol
CID 118999964
[6-[(1R)-1-aminopropyl]-3-chloro-2-pyridinyl]methanol
CID 130855234
[6-(azetidin-2-yl)-3-chloro-2-pyridinyl]methanol
CID 55272360
3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
CID 61255295
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
[3-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-2-pyridinyl]methanol
CID 66274832
(2,4-dichloro-3-quinolin-2-ylphenyl)methanol
CID 174860669
[3-chloro-6-(4-chloro-3,5-dimethylphenoxy)-2-pyridinyl]methanol
CID 61257343

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol (CID 134626421) is [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol is OCc1nc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)ccc1Cl.
What is the InChIKey of [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
The InChIKey is KXGVGFIMBGPVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl6NO/c13-4-1-2-5(19-6(4)3-20)7-8(14)10(16)12(18)11(17)9(7)15/h1-2,20H,3H2.
What are the key properties of [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol?
[3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol has a molecular weight of 391.90 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(2,3,4,5,6-pentachlorophenyl)-2-pyridinyl]methanol is sourced from PubChem (CID 134626421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).