2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol

C13H12ClFN2O — CID 79163434

IUPAC2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-12(18)11(17-8)7-16-10-4-2-3-9(14)13(10)15/h2-6,16,18H,7H2,1H3
InChIKeyUMYZCLVNHRBZIT-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.50
Rot. Bonds3

About 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol

2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol (PubChem CID 79163434) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
PubChem CID79163434
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H12ClFN2O/c1-8-5-6-12(18)11(17-8)7-16-10-4-2-3-9(14)13(10)15/h2-6,16,18H,7H2,1H3
InChIKeyUMYZCLVNHRBZIT-UHFFFAOYSA-N
XLogP3.50
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
CID 79150636
6-methyl-2-[(naphthalen-1-ylamino)methyl]pyridin-3-ol
CID 79163427
2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
CID 79162332
2-[(4-fluoro-2-methylanilino)methyl]-6-methylpyridin-3-ol
CID 79163164
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
CID 79163162
6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
CID 79162815
6-methyl-2-[(2,3,5,6-tetrafluoroanilino)methyl]pyridin-3-ol
CID 107643762
2-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 79151022
2-[(2-bromo-4-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79162906
2-[(3,4-difluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163518
2-[[2-(3-methoxypropoxy)anilino]methyl]-6-methylpyridin-3-ol
CID 75385183
6-methyl-2-[[2-(1,2,4-triazol-1-yl)anilino]methyl]pyridin-3-ol
CID 79156738

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol (CID 79163434) is 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cccc(Cl)c2F)n1.
What is the InChIKey of 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol?
The InChIKey is UMYZCLVNHRBZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-8-5-6-12(18)11(17-8)7-16-10-4-2-3-9(14)13(10)15/h2-6,16,18H,7H2,1H3.
What are the key properties of 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol?
2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol has a molecular weight of 266.70 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79163434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).