6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol

C13H10F4N2O — CID 107643762

IUPAC6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H10F4N2O/c1-6-2-3-10(20)9(19-6)5-18-13-11(16)7(14)4-8(15)12(13)17/h2-4,18,20H,5H2,1H3
InChIKeyZTAIDKJJBRTTMQ-UHFFFAOYSA-N
MW286.23 g/mol
LogP3.26
Rot. Bonds3

About 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol

6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol (PubChem CID 107643762) has the molecular formula C13H10F4N2O and a molecular weight of 286.23 g/mol. Its IUPAC name is 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
PubChem CID107643762
Molecular FormulaC13H10F4N2O
Molecular Weight286.23 g/mol
Exact Mass286.07
IUPAC Name6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNc2c(F)c(F)cc(F)c2F)n1
InChIInChI=1S/C13H10F4N2O/c1-6-2-3-10(20)9(19-6)5-18-13-11(16)7(14)4-8(15)12(13)17/h2-4,18,20H,5H2,1H3
InChIKeyZTAIDKJJBRTTMQ-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol (CID 107643762) is 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol is Cc1ccc(O)c(CNc2c(F)c(F)cc(F)c2F)n1.
What is the InChIKey of 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol?
The InChIKey is ZTAIDKJJBRTTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2O/c1-6-2-3-10(20)9(19-6)5-18-13-11(16)7(14)4-8(15)12(13)17/h2-4,18,20H,5H2,1H3.
What are the key properties of 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol?
6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol has a molecular weight of 286.23 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 107643762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).