(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol

C12H8BrF2NO — CID 135084483

IUPAC(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cccnc1Br
InChIInChI=1S/C12H8BrF2NO/c13-12-8(2-1-5-16-12)11(17)7-3-4-9(14)10(15)6-7/h1-6,11,17H
InChIKeyNLDGYDDKGZHOOQ-UHFFFAOYSA-N
MW300.10 g/mol
LogP3.20
Rot. Bonds2

About (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol

(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol (PubChem CID 135084483) has the molecular formula C12H8BrF2NO and a molecular weight of 300.10 g/mol. Its IUPAC name is (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol
PubChem CID135084483
Molecular FormulaC12H8BrF2NO
Molecular Weight300.10 g/mol
Exact Mass298.98
IUPAC Name(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol
SMILESOC(c1ccc(F)c(F)c1)c1cccnc1Br
InChIInChI=1S/C12H8BrF2NO/c13-12-8(2-1-5-16-12)11(17)7-3-4-9(14)10(15)6-7/h1-6,11,17H
InChIKeyNLDGYDDKGZHOOQ-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol (CID 135084483) is (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol is OC(c1ccc(F)c(F)c1)c1cccnc1Br.
What is the InChIKey of (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol?
The InChIKey is NLDGYDDKGZHOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF2NO/c13-12-8(2-1-5-16-12)11(17)7-3-4-9(14)10(15)6-7/h1-6,11,17H.
What are the key properties of (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol?
(2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol has a molecular weight of 300.10 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-pyridinyl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 135084483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).