(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol

C11H8BrFN2O — CID 104737732

IUPAC(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccc(Br)cn1)c1ccncc1F
InChIInChI=1S/C11H8BrFN2O/c12-7-1-2-10(15-5-7)11(16)8-3-4-14-6-9(8)13/h1-6,11,16H
InChIKeyBAPRSCDDUXLVOK-UHFFFAOYSA-N
MW283.10 g/mol
LogP2.46
Rot. Bonds2

About (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol

(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol (PubChem CID 104737732) has the molecular formula C11H8BrFN2O and a molecular weight of 283.10 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
PubChem CID104737732
Molecular FormulaC11H8BrFN2O
Molecular Weight283.10 g/mol
Exact Mass281.98
IUPAC Name(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol
SMILESOC(c1ccc(Br)cn1)c1ccncc1F
InChIInChI=1S/C11H8BrFN2O/c12-7-1-2-10(15-5-7)11(16)8-3-4-14-6-9(8)13/h1-6,11,16H
InChIKeyBAPRSCDDUXLVOK-UHFFFAOYSA-N
XLogP2.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-pyridinyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115833939
(3-fluoro-4-pyridinyl)-(1,3-thiazol-4-yl)methanol
CID 104738089
(5-bromo-2-pyridinyl)-(3,4-difluorophenyl)methanol
CID 115606173
(5-bromo-2-pyridinyl)-pyrimidin-2-ylmethanol
CID 171846031
(5-bromo-2-pyridinyl)-phenylmethanol
CID 10587663
(4-bromo-1-methylpyrazol-5-yl)-(3-fluoro-4-pyridinyl)methanol
CID 114645155
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
2-(5-bromo-2-pyridinyl)-1-(3-methyl-4-pyridinyl)ethanol
CID 104800540
3-bromo-1-(5-bromo-2-pyridinyl)propane-1,2-diol
CID 171861041
1-(3-fluoro-4-pyridinyl)prop-2-yn-1-ol
CID 105106256
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol (CID 104737732) is (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol is OC(c1ccc(Br)cn1)c1ccncc1F.
What is the InChIKey of (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol?
The InChIKey is BAPRSCDDUXLVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O/c12-7-1-2-10(15-5-7)11(16)8-3-4-14-6-9(8)13/h1-6,11,16H.
What are the key properties of (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol?
(5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol has a molecular weight of 283.10 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-(3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 104737732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).