4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol

C6H3BrClF2NO — CID 118799512

IUPAC4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
SMILESOc1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C6H3BrClF2NO/c7-3-2(6(9)10)1-11-5(8)4(3)12/h1,6,12H
InChIKeyHEOICFBIUSIODY-UHFFFAOYSA-N
MW258.45 g/mol
LogP3.14
Rot. Bonds1

About 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol

4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol (PubChem CID 118799512) has the molecular formula C6H3BrClF2NO and a molecular weight of 258.45 g/mol. Its IUPAC name is 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
PubChem CID118799512
Molecular FormulaC6H3BrClF2NO
Molecular Weight258.45 g/mol
Exact Mass256.91
IUPAC Name4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
SMILESOc1c(Cl)ncc(C(F)F)c1Br
InChIInChI=1S/C6H3BrClF2NO/c7-3-2(6(9)10)1-11-5(8)4(3)12/h1,6,12H
InChIKeyHEOICFBIUSIODY-UHFFFAOYSA-N
XLogP3.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 53.14
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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Related Compounds

4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118829005
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
2-[4-bromo-2-chloro-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118805144
[3-bromo-2-chloro-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130108201
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 118828181
2-chloro-5-(difluoromethyl)-3-hydroxypyridine-4-sulfonamide
CID 119007831
3-bromo-2-chloro-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130108233
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379
4-bromo-5-(difluoromethyl)pyridin-3-ol
CID 118827771
4-chloro-5-(difluoromethyl)-2-fluoropyridin-3-ol
CID 118839459

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The IUPAC name of 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol (CID 118799512) is 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol.
What is the SMILES notation for 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The canonical SMILES for 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol is Oc1c(Cl)ncc(C(F)F)c1Br.
What is the InChIKey of 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol?
The InChIKey is HEOICFBIUSIODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF2NO/c7-3-2(6(9)10)1-11-5(8)4(3)12/h1,6,12H.
What are the key properties of 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol?
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol has a molecular weight of 258.45 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol is sourced from PubChem (CID 118799512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).