4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol

C6H3BrF2N2O3 — CID 118828181

IUPAC4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ncc(C(F)F)c(Br)c1O
InChIInChI=1S/C6H3BrF2N2O3/c7-3-2(5(8)9)1-10-6(4(3)12)11(13)14/h1,5,12H
InChIKeyMBRHQVCBGXIDGO-UHFFFAOYSA-N
MW269.00 g/mol
LogP2.40
Rot. Bonds2

About 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol

4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol (PubChem CID 118828181) has the molecular formula C6H3BrF2N2O3 and a molecular weight of 269.00 g/mol. Its IUPAC name is 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol.

Molecular Properties

Compound Name4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
PubChem CID118828181
Molecular FormulaC6H3BrF2N2O3
Molecular Weight269.00 g/mol
Exact Mass267.93
IUPAC Name4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1ncc(C(F)F)c(Br)c1O
InChIInChI=1S/C6H3BrF2N2O3/c7-3-2(5(8)9)1-10-6(4(3)12)11(13)14/h1,5,12H
InChIKeyMBRHQVCBGXIDGO-UHFFFAOYSA-N
XLogP2.40
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.00
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 118844275
5-(difluoromethyl)-3-hydroxy-2-nitropyridine-4-sulfonyl chloride
CID 131337922
3-bromo-5-(difluoromethyl)-2-nitropyridine-4-carbonitrile
CID 130108736
5-(difluoromethyl)-3,4-dimethyl-2-nitropyridine
CID 130101236
5-bromo-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130069945
4-bromo-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118799512
3-bromo-4-(difluoromethyl)-5-methyl-2-nitropyridine
CID 130069120
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
methyl 4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carboxylate
CID 130110498
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
4-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102613
5-bromo-4-(difluoromethyl)-6-nitropyridin-2-amine
CID 130101818

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol?
The IUPAC name of 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol (CID 118828181) is 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol.
What is the SMILES notation for 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol?
The canonical SMILES for 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol is O=[N+]([O-])c1ncc(C(F)F)c(Br)c1O.
What is the InChIKey of 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol?
The InChIKey is MBRHQVCBGXIDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O3/c7-3-2(5(8)9)1-10-6(4(3)12)11(13)14/h1,5,12H.
What are the key properties of 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol?
4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol has a molecular weight of 269.00 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(difluoromethyl)-2-nitropyridin-3-ol is sourced from PubChem (CID 118828181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).