(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol

C12H10BrFN2O — CID 66425226

IUPAC(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16)
InChIKeyWRODPLNOXMIFLD-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.65
Rot. Bonds2

About (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol

(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol (PubChem CID 66425226) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
PubChem CID66425226
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1cc(F)cc(Br)c1
InChIInChI=1S/C12H10BrFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16)
InChIKeyWRODPLNOXMIFLD-UHFFFAOYSA-N
XLogP2.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.13
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
CID 114454131
(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
CID 81436370
2-(2-amino-3-pyridinyl)-1-(3-bromo-5-fluorophenyl)ethanol
CID 66425032
(2-amino-3-pyridinyl)-(3-bromo-4-methylphenyl)methanol
CID 105402842
(3-bromo-5-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 66424632
(3-bromo-5-fluorophenyl)-(2,5-difluorophenyl)methanol
CID 61101647
(2-amino-3-pyridinyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722117
(3,5-dibromophenyl)-quinolin-5-ylmethanol
CID 107978579
(3-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104659620
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
1-benzothiophen-7-yl-(3-bromo-5-fluorophenyl)methanol
CID 81154206
1-benzothiophen-3-yl-(3-bromo-5-fluorophenyl)methanol
CID 61088373

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol?
The IUPAC name of (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol (CID 66425226) is (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol?
The canonical SMILES for (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol is Nc1ncccc1C(O)c1cc(F)cc(Br)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol?
The InChIKey is WRODPLNOXMIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-8-4-7(5-9(14)6-8)11(17)10-2-1-3-16-12(10)15/h1-6,11,17H,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol?
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol has a molecular weight of 297.13 g/mol, XLogP of 2.65, 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-5-fluorophenyl)methanol is sourced from PubChem (CID 66425226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).