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

C12H9F3N2O — CID 79775562

IUPAC6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C12H9F3N2O/c13-9-3-4-10(12(15)11(9)14)17-5-7-1-2-8(18)6-16-7/h1-4,6,17-18H,5H2
InChIKeyFLUGXVXBXCUKRK-UHFFFAOYSA-N
MW254.21 g/mol
LogP2.82
Rot. Bonds3

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

6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol (PubChem CID 79775562) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
PubChem CID79775562
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
SMILESOc1ccc(CNc2ccc(F)c(F)c2F)nc1
InChIInChI=1S/C12H9F3N2O/c13-9-3-4-10(12(15)11(9)14)17-5-7-1-2-8(18)6-16-7/h1-4,6,17-18H,5H2
InChIKeyFLUGXVXBXCUKRK-UHFFFAOYSA-N
XLogP2.82
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
CID 79776132
6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
CID 79775734
2,3,4-trifluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774815
6-(anilinomethyl)pyridin-3-ol
CID 79787965
6-[[2-(difluoromethylsulfanyl)anilino]methyl]pyridin-3-ol
CID 79776271
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859
6-[(2-phenylanilino)methyl]pyridin-3-ol
CID 79781629
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
6-[(2,4-dimethoxyanilino)methyl]pyridin-3-ol
CID 79775559
6-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79793918
4-[(5-hydroxy-2-pyridinyl)methylamino]-3-methylbenzamide
CID 79776352
3-bromo-4-[(5-hydroxy-2-pyridinyl)methylamino]benzenesulfonamide
CID 79783627

Frequently Asked Questions

What is the IUPAC name of 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol (CID 79775562) is 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol is Oc1ccc(CNc2ccc(F)c(F)c2F)nc1.
What is the InChIKey of 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol?
The InChIKey is FLUGXVXBXCUKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-9-3-4-10(12(15)11(9)14)17-5-7-1-2-8(18)6-16-7/h1-4,6,17-18H,5H2.
What are the key properties of 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol?
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol has a molecular weight of 254.21 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79775562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).