(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol

C13H13BrN2O — CID 105402842

IUPAC(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccnc2N)cc1Br
InChIInChI=1S/C13H13BrN2O/c1-8-4-5-9(7-11(8)14)12(17)10-3-2-6-16-13(10)15/h2-7,12,17H,1H3,(H2,15,16)
InChIKeyHWKJVPQUISMWAI-UHFFFAOYSA-N
MW293.16 g/mol
LogP2.82
Rot. Bonds2

About (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol

(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol (PubChem CID 105402842) has the molecular formula C13H13BrN2O and a molecular weight of 293.16 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
PubChem CID105402842
Molecular FormulaC13H13BrN2O
Molecular Weight293.16 g/mol
Exact Mass292.02
IUPAC Name(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cccnc2N)cc1Br
InChIInChI=1S/C13H13BrN2O/c1-8-4-5-9(7-11(8)14)12(17)10-3-2-6-16-13(10)15/h2-7,12,17H,1H3,(H2,15,16)
InChIKeyHWKJVPQUISMWAI-UHFFFAOYSA-N
XLogP2.82
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanol
CID 115791704
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
CID 66425226
(2-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
CID 65026646
(3-bromo-4-methylphenyl)-naphthalen-1-ylmethanol
CID 81476478
(3-bromo-4-methylphenyl)-isoquinolin-8-ylmethanol
CID 103139157
(3-bromo-4-methylphenyl)-(4-methylnaphthalen-1-yl)methanol
CID 81460126
(2-amino-3-pyridinyl)-(3-methylfuran-2-yl)methanol
CID 104800648
(3-bromo-4-methylphenyl)-(3-methylphenyl)methanol
CID 114978122
(3-bromo-4-methylphenyl)-(2,5-difluoro-4-methylphenyl)methanol
CID 81475821
(2-amino-5-chloro-3-pyridinyl)-(4-bromo-3-methylphenyl)methanol
CID 81447194
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol?
The IUPAC name of (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol (CID 105402842) is (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol.
What is the SMILES notation for (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol?
The canonical SMILES for (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol is Cc1ccc(C(O)c2cccnc2N)cc1Br.
What is the InChIKey of (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol?
The InChIKey is HWKJVPQUISMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O/c1-8-4-5-9(7-11(8)14)12(17)10-3-2-6-16-13(10)15/h2-7,12,17H,1H3,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol?
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol has a molecular weight of 293.16 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol is sourced from PubChem (CID 105402842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).