[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol

C13H13FN2O — CID 107232296

IUPAC[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyFZZSVTIRRAVATA-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.33
Rot. Bonds4

About [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107232296) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107232296
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ncccc2F)cc1
InChIInChI=1S/C13H13FN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyFZZSVTIRRAVATA-UHFFFAOYSA-N
XLogP2.33
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232377
3-fluoro-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 62735098
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
3-fluoro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 62733975
3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
N-[(3-amino-4-methoxyphenyl)methyl]-3-fluoropyridin-2-amine
CID 62735303
2-fluoro-5-[[[3-(hydroxymethyl)-2-pyridinyl]amino]methyl]benzonitrile
CID 83317572
3-fluoro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 62733784
2-[[3-fluoro-4-(hydroxymethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 51091666
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
N'-(3-fluoro-2-pyridinyl)pentane-1,5-diamine
CID 107323423

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107232296) is [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol is OCc1ccc(CNc2ncccc2F)cc1.
What is the InChIKey of [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is FZZSVTIRRAVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16).
What are the key properties of [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 232.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).