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

C12H5Cl6NO — CID 134619774

IUPAC[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl6NO/c13-7-6(8(14)10(16)11(17)9(7)15)4-1-5(3-20)12(18)19-2-4/h1-2,20H,3H2
InChIKeyBGOGROZHOSFLTI-UHFFFAOYSA-N
MW391.90 g/mol
LogP6.16
Rot. Bonds2

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

[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol (PubChem CID 134619774) has the molecular formula C12H5Cl6NO and a molecular weight of 391.90 g/mol. Its IUPAC name is [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
PubChem CID134619774
Molecular FormulaC12H5Cl6NO
Molecular Weight391.90 g/mol
Exact Mass388.85
IUPAC Name[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
SMILESOCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1Cl
InChIInChI=1S/C12H5Cl6NO/c13-7-6(8(14)10(16)11(17)9(7)15)4-1-5(3-20)12(18)19-2-4/h1-2,20H,3H2
InChIKeyBGOGROZHOSFLTI-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-methoxy-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol
CID 134620848
[2-chloro-5-(3,4-dichlorophenyl)-3-pyridinyl]methanol
CID 119006015
[2-chloro-5-(2-fluorophenyl)-3-pyridinyl]methanol
CID 119021722
[2,5-bis(2,3,4,5,6-pentachlorophenyl)-4-pyridinyl]methanol
CID 134618094
(5-butyl-2-chloro-3-pyridinyl)methanol
CID 119083937
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401
[2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)-3-pyridinyl]methanol
CID 118826276
2-fluoro-5-(2,3,4,5,6-pentachlorophenyl)pyridin-3-amine
CID 133089918
2-[2-chloro-5-(3,4,5-trichlorophenyl)-3-pyridinyl]acetonitrile
CID 134619751
(2-bromo-7-chlorothieno[2,3-c]pyridin-4-yl)methanol
CID 130048898
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218
2-(2-chloro-5-fluoro-3-pyridinyl)ethanol
CID 174218174

Frequently Asked Questions

What is the IUPAC name of [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol (CID 134619774) is [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol is OCc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cnc1Cl.
What is the InChIKey of [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
The InChIKey is BGOGROZHOSFLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl6NO/c13-7-6(8(14)10(16)11(17)9(7)15)4-1-5(3-20)12(18)19-2-4/h1-2,20H,3H2.
What are the key properties of [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol?
[2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-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 [2-chloro-5-(2,3,4,5,6-pentachlorophenyl)-3-pyridinyl]methanol is sourced from PubChem (CID 134619774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).