4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol

C13H13FN2O2 — CID 114254373

IUPAC4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2cncc(F)c2)ccc1O
InChIInChI=1S/C13H13FN2O2/c1-18-13-4-9(2-3-12(13)17)6-16-11-5-10(14)7-15-8-11/h2-5,7-8,16-17H,6H2,1H3
InChIKeyKACOBKDNLSOESQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.55
Rot. Bonds4

About 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol

4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol (PubChem CID 114254373) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
PubChem CID114254373
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol
SMILESCOc1cc(CNc2cncc(F)c2)ccc1O
InChIInChI=1S/C13H13FN2O2/c1-18-13-4-9(2-3-12(13)17)6-16-11-5-10(14)7-15-8-11/h2-5,7-8,16-17H,6H2,1H3
InChIKeyKACOBKDNLSOESQ-UHFFFAOYSA-N
XLogP2.55
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
4-[(3,5-dichloro-4-fluoroanilino)methyl]-2-methoxyphenol
CID 107572501
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
5-fluoro-N-[(2-methoxyphenyl)methyl]pyridin-3-amine
CID 113342955
2-ethoxy-4-[[(5-methyl-3-pyridinyl)amino]methyl]phenol
CID 107584887
4-[[4-(dimethylamino)anilino]methyl]-2-methoxyphenol
CID 39371639
2-[4-[(4-hydroxy-3-methoxyphenyl)methylamino]phenyl]acetonitrile
CID 43722167
4-[(3-bromo-4-methylanilino)methyl]-2-methoxyphenol
CID 63333437
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019
N-[[4-(difluoromethyl)phenyl]methyl]-5-fluoropyridin-3-amine
CID 114217566
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
CID 107268067

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The IUPAC name of 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol (CID 114254373) is 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol is COc1cc(CNc2cncc(F)c2)ccc1O.
What is the InChIKey of 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol?
The InChIKey is KACOBKDNLSOESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-18-13-4-9(2-3-12(13)17)6-16-11-5-10(14)7-15-8-11/h2-5,7-8,16-17H,6H2,1H3.
What are the key properties of 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol?
4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol has a molecular weight of 248.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-fluoro-3-pyridinyl)amino]methyl]-2-methoxyphenol is sourced from PubChem (CID 114254373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).