6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol

C13H11Cl3N2O — CID 79162815

IUPAC6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-7-2-3-12(19)11(18-7)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17,19H,6H2,1H3
InChIKeySCSHCIAMVRDJSV-UHFFFAOYSA-N
MW317.60 g/mol
LogP4.67
Rot. Bonds3

About 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol

6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol (PubChem CID 79162815) has the molecular formula C13H11Cl3N2O and a molecular weight of 317.60 g/mol. Its IUPAC name is 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
PubChem CID79162815
Molecular FormulaC13H11Cl3N2O
Molecular Weight317.60 g/mol
Exact Mass315.99
IUPAC Name6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2c(Cl)cc(Cl)cc2Cl)n1
InChIInChI=1S/C13H11Cl3N2O/c1-7-2-3-12(19)11(18-7)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17,19H,6H2,1H3
InChIKeySCSHCIAMVRDJSV-UHFFFAOYSA-N
XLogP4.67
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol (CID 79162815) is 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2c(Cl)cc(Cl)cc2Cl)n1.
What is the InChIKey of 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol?
The InChIKey is SCSHCIAMVRDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl3N2O/c1-7-2-3-12(19)11(18-7)6-17-13-9(15)4-8(14)5-10(13)16/h2-5,17,19H,6H2,1H3.
What are the key properties of 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol?
6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol has a molecular weight of 317.60 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79162815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).