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

C13H12BrClN2O — CID 114836485

IUPAC[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C13H12BrClN2O/c14-12-5-11(15)7-17-13(12)16-6-9-2-1-3-10(4-9)8-18/h1-5,7,18H,6,8H2,(H,16,17)
InChIKeyPIVINYACIPLDGR-UHFFFAOYSA-N
MW327.61 g/mol
LogP3.60
Rot. Bonds4

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

[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 114836485) has the molecular formula C13H12BrClN2O and a molecular weight of 327.61 g/mol. Its IUPAC name is [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID114836485
Molecular FormulaC13H12BrClN2O
Molecular Weight327.61 g/mol
Exact Mass325.98
IUPAC Name[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1cccc(CNc2ncc(Cl)cc2Br)c1
InChIInChI=1S/C13H12BrClN2O/c14-12-5-11(15)7-17-13(12)16-6-9-2-1-3-10(4-9)8-18/h1-5,7,18H,6,8H2,(H,16,17)
InChIKeyPIVINYACIPLDGR-UHFFFAOYSA-N
XLogP3.60
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol with MolForge

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Related Compounds

[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
N-[(3-bromophenyl)methyl]-3,5-dichloropyridin-2-amine
CID 63541171
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
CID 66341926
[3-[[(4-chloro-1,2,5-thiadiazol-3-yl)amino]methyl]phenyl]methanol
CID 106197129
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3-bromo-5-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]pyridin-2-amine
CID 103292888
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936

Frequently Asked Questions

What is the IUPAC name of [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 114836485) is [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is OCc1cccc(CNc2ncc(Cl)cc2Br)c1.
What is the InChIKey of [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is PIVINYACIPLDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O/c14-12-5-11(15)7-17-13(12)16-6-9-2-1-3-10(4-9)8-18/h1-5,7,18H,6,8H2,(H,16,17).
What are the key properties of [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
[3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 327.61 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 114836485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).