2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol

C14H15BrN2O2 — CID 107712102

IUPAC2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1c(N)cnc(Oc2ccccc2CCO)c1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-11(16)8-17-14(13(9)15)19-12-5-3-2-4-10(12)6-7-18/h2-5,8,18H,6-7,16H2,1H3
InChIKeyFKYVXDGHPGNVRR-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.06
Rot. Bonds4

About 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol

2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol (PubChem CID 107712102) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
PubChem CID107712102
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol
SMILESCc1c(N)cnc(Oc2ccccc2CCO)c1Br
InChIInChI=1S/C14H15BrN2O2/c1-9-11(16)8-17-14(13(9)15)19-12-5-3-2-4-10(12)6-7-18/h2-5,8,18H,6-7,16H2,1H3
InChIKeyFKYVXDGHPGNVRR-UHFFFAOYSA-N
XLogP3.06
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-bromo-5-methyl-2-pyridinyl)oxy]phenyl]ethanol
CID 107713700
5-bromo-4-methyl-6-[2-(trifluoromethyl)phenoxy]pyridin-3-amine
CID 104507209
2-[2-(2-amino-4-methylphenoxy)phenyl]ethanol
CID 70462198
5-bromo-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-methylpyridin-3-amine
CID 103174438
5-bromo-6-(3-ethoxyphenoxy)-4-methylpyridin-3-amine
CID 104507343
[2-[(5-amino-4-methyl-2-pyridinyl)oxy]phenyl]methanol
CID 79175989
5-bromo-6-(2,4-dichlorophenoxy)-4-methylpyridin-3-amine
CID 104507237
5-bromo-6-(3-iodophenoxy)-4-methylpyridin-3-amine
CID 104507301
5-bromo-6-(5-bromo-2-chlorophenoxy)-4-methylpyridin-3-amine
CID 104507356
2-[2-(5,6,7,8-tetrahydroquinazolin-4-yloxy)phenyl]ethanol
CID 107713809
2-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]phenyl]ethanol
CID 107713663
2-[2-[5-(aminomethyl)pyrazin-2-yl]oxyphenyl]ethanol
CID 107711701

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The IUPAC name of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol (CID 107712102) is 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol.
What is the SMILES notation for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The canonical SMILES for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol is Cc1c(N)cnc(Oc2ccccc2CCO)c1Br.
What is the InChIKey of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol?
The InChIKey is FKYVXDGHPGNVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-9-11(16)8-17-14(13(9)15)19-12-5-3-2-4-10(12)6-7-18/h2-5,8,18H,6-7,16H2,1H3.
What are the key properties of 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol?
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol has a molecular weight of 323.19 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)oxy]phenyl]ethanol is sourced from PubChem (CID 107712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).