[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol

C14H15BrN2O — CID 79718432

IUPAC[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(Br)cnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H15BrN2O/c1-10-5-13(15)8-17-14(10)16-7-11-3-2-4-12(6-11)9-18/h2-6,8,18H,7,9H2,1H3,(H,16,17)
InChIKeyWKRTWCZKZXODOX-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.26
Rot. Bonds4

About [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol

[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 79718432) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID79718432
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(Br)cnc1NCc1cccc(CO)c1
InChIInChI=1S/C14H15BrN2O/c1-10-5-13(15)8-17-14(10)16-7-11-3-2-4-12(6-11)9-18/h2-6,8,18H,7,9H2,1H3,(H,16,17)
InChIKeyWKRTWCZKZXODOX-UHFFFAOYSA-N
XLogP3.26
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(3-bromophenyl)methyl]-3-methylpyridin-2-amine
CID 79718282
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
CID 133373833
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114836485
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 65419281
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
5-bromo-N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylpyridin-2-amine
CID 133373882
[4-[[(5-amino-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231455
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936

Frequently Asked Questions

What is the IUPAC name of [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol (CID 79718432) is [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is Cc1cc(Br)cnc1NCc1cccc(CO)c1.
What is the InChIKey of [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is WKRTWCZKZXODOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-10-5-13(15)8-17-14(10)16-7-11-3-2-4-12(6-11)9-18/h2-6,8,18H,7,9H2,1H3,(H,16,17).
What are the key properties of [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 79718432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).