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

C12H10BrFN2O — CID 81436370

IUPAC(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O/c13-9-4-3-7(6-10(9)14)11(17)8-2-1-5-16-12(8)15/h1-6,11,17H,(H2,15,16)
InChIKeyLZISDFPBBZXRIT-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.65
Rot. Bonds2

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

(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol (PubChem CID 81436370) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol.

Molecular Properties

Compound Name(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
PubChem CID81436370
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol
SMILESNc1ncccc1C(O)c1ccc(Br)c(F)c1
InChIInChI=1S/C12H10BrFN2O/c13-9-4-3-7(6-10(9)14)11(17)8-2-1-5-16-12(8)15/h1-6,11,17H,(H2,15,16)
InChIKeyLZISDFPBBZXRIT-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-bromo-4-methylphenyl)methanol
CID 105402842
(2-amino-3-pyridinyl)-(3-bromo-5-fluorophenyl)methanol
CID 66425226
2-(2-amino-3-pyridinyl)-1-(4-bromo-3-fluorophenyl)ethanol
CID 81447980
(2-amino-3-pyridinyl)-(3-chloro-5-fluorophenyl)methanol
CID 114454131
(5-bromoquinolin-8-yl)-(3,4-difluorophenyl)methanol
CID 115959949
(4-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 81437311
(3-bromo-4-fluorophenyl)-quinolin-8-ylmethanol
CID 81216271
[(4-bromo-3-fluorophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326969
(2-amino-3-pyridinyl)-(3-chloro-4-methoxyphenyl)methanol
CID 65026646
(2-amino-3-pyridinyl)-(5-fluoro-2-pyridinyl)methanol
CID 79722117
(2-chloro-3-fluorophenyl)-quinolin-6-ylmethanol
CID 115826770
(3-bromo-2-fluorophenyl)-quinolin-7-ylmethanol
CID 107954092

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol?
The IUPAC name of (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol (CID 81436370) is (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol.
What is the SMILES notation for (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol?
The canonical SMILES for (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol is Nc1ncccc1C(O)c1ccc(Br)c(F)c1.
What is the InChIKey of (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol?
The InChIKey is LZISDFPBBZXRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-9-4-3-7(6-10(9)14)11(17)8-2-1-5-16-12(8)15/h1-6,11,17H,(H2,15,16).
What are the key properties of (2-amino-3-pyridinyl)-(4-bromo-3-fluorophenyl)methanol?
(2-amino-3-pyridinyl)-(4-bromo-3-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)-(4-bromo-3-fluorophenyl)methanol is sourced from PubChem (CID 81436370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).