(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol

C12H10BrFN2O — CID 114885595

IUPAC(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
SMILESNc1ccncc1C(O)c1c(F)cccc1Br
InChIInChI=1S/C12H10BrFN2O/c13-8-2-1-3-9(14)11(8)12(17)7-6-16-5-4-10(7)15/h1-6,12,17H,(H2,15,16)
InChIKeyXDOMNZRBXGYBOU-UHFFFAOYSA-N
MW297.13 g/mol
LogP2.65
Rot. Bonds2

About (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol

(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol (PubChem CID 114885595) has the molecular formula C12H10BrFN2O and a molecular weight of 297.13 g/mol. Its IUPAC name is (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol.

Molecular Properties

Compound Name(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
PubChem CID114885595
Molecular FormulaC12H10BrFN2O
Molecular Weight297.13 g/mol
Exact Mass296.00
IUPAC Name(4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol
SMILESNc1ccncc1C(O)c1c(F)cccc1Br
InChIInChI=1S/C12H10BrFN2O/c13-8-2-1-3-9(14)11(8)12(17)7-6-16-5-4-10(7)15/h1-6,12,17H,(H2,15,16)
InChIKeyXDOMNZRBXGYBOU-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

3-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]pyridin-4-amine
CID 114887250
[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105280440
(2-bromo-6-fluorophenyl)-(4-bromothiophen-3-yl)methanol
CID 114885677
1-(2-bromo-6-fluorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)methanamine
CID 114887123
(2-bromo-6-fluorophenyl)-(4-bromonaphthalen-1-yl)methanol
CID 114560508
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(2-bromo-6-fluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 114885762
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
(2-bromo-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 114885764
(2-bromo-6-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanol
CID 114885772
N-[(2-bromo-6-fluorophenyl)-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 114887468

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol?
The IUPAC name of (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol (CID 114885595) is (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol.
What is the SMILES notation for (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol?
The canonical SMILES for (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol is Nc1ccncc1C(O)c1c(F)cccc1Br.
What is the InChIKey of (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol?
The InChIKey is XDOMNZRBXGYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O/c13-8-2-1-3-9(14)11(8)12(17)7-6-16-5-4-10(7)15/h1-6,12,17H,(H2,15,16).
What are the key properties of (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol?
(4-amino-3-pyridinyl)-(2-bromo-6-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 (4-amino-3-pyridinyl)-(2-bromo-6-fluorophenyl)methanol is sourced from PubChem (CID 114885595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).