6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol

C13H13FN2O — CID 79776132

IUPAC6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
SMILESCc1ccc(F)c(NCc2ccc(O)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-9-2-5-12(14)13(6-9)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3
InChIKeyKDIZVCXTJRCCKJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.85
Rot. Bonds3

About 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol

6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol (PubChem CID 79776132) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
PubChem CID79776132
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol
SMILESCc1ccc(F)c(NCc2ccc(O)cn2)c1
InChIInChI=1S/C13H13FN2O/c1-9-2-5-12(14)13(6-9)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3
InChIKeyKDIZVCXTJRCCKJ-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81312960
6-[(2,3,4-trifluoroanilino)methyl]pyridin-3-ol
CID 79775562
2-fluoro-5-methyl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60688792
6-[(2-methoxy-4-methylanilino)methyl]pyridin-3-ol
CID 79782889
N-[4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]phenyl]acetamide
CID 81311947
methyl 4-fluoro-3-[(5-methyl-2-pyridinyl)methylamino]benzoate
CID 81311822
6-[[4-chloro-2-(trifluoromethyl)anilino]methyl]pyridin-3-ol
CID 79775734
2-chloro-5-methyl-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 103880797
2-fluoro-5-methyl-N-(pyrimidin-5-ylmethyl)aniline
CID 62760447
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
4-[(2-fluoro-5-methylanilino)methyl]benzene-1,2-diol
CID 28968371
6-[(2,5-dibromoanilino)methyl]pyridin-3-ol
CID 79782859

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol (CID 79776132) is 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol is Cc1ccc(F)c(NCc2ccc(O)cn2)c1.
What is the InChIKey of 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol?
The InChIKey is KDIZVCXTJRCCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9-2-5-12(14)13(6-9)16-7-10-3-4-11(17)8-15-10/h2-6,8,16-17H,7H2,1H3.
What are the key properties of 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol?
6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol has a molecular weight of 232.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluoro-5-methylanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79776132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).