5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol

C6H3BrF2N2O3 — CID 130110130

IUPAC5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(C(F)F)c(Br)cc1O
InChIInChI=1S/C6H3BrF2N2O3/c7-2-1-3(12)6(11(13)14)10-4(2)5(8)9/h1,5,12H
InChIKeySNTCKNXCOYJARM-UHFFFAOYSA-N
MW269.00 g/mol
LogP2.40
Rot. Bonds2

About 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol

5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol (PubChem CID 130110130) has the molecular formula C6H3BrF2N2O3 and a molecular weight of 269.00 g/mol. Its IUPAC name is 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol.

Molecular Properties

Compound Name5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
PubChem CID130110130
Molecular FormulaC6H3BrF2N2O3
Molecular Weight269.00 g/mol
Exact Mass267.93
IUPAC Name5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol
SMILESO=[N+]([O-])c1nc(C(F)F)c(Br)cc1O
InChIInChI=1S/C6H3BrF2N2O3/c7-2-1-3(12)6(11(13)14)10-4(2)5(8)9/h1,5,12H
InChIKeySNTCKNXCOYJARM-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

2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carboxylic acid
CID 118826321
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
2,5-dibromo-6-(difluoromethyl)-3-nitropyridine
CID 130098945
2,5-dibromo-6-(difluoromethyl)pyridin-3-ol
CID 130098897
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
2-(difluoromethyl)-6-nitro-5-(trifluoromethyl)pyridin-3-ol
CID 133102745
5-bromo-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130107859
5-bromo-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130109443
5-bromo-6-(difluoromethyl)-3-nitropyridine-2-sulfonyl chloride
CID 131319660
3-bromo-2-(difluoromethyl)-5-nitropyridine
CID 130095069
[2-(difluoromethyl)-5-iodo-6-nitro-3-pyridinyl]methanol
CID 118814976
[5-chloro-6-(difluoromethyl)-2-nitro-3-pyridinyl]methanol
CID 130074786

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol?
The IUPAC name of 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol (CID 130110130) is 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol.
What is the SMILES notation for 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol?
The canonical SMILES for 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol is O=[N+]([O-])c1nc(C(F)F)c(Br)cc1O.
What is the InChIKey of 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol?
The InChIKey is SNTCKNXCOYJARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrF2N2O3/c7-2-1-3(12)6(11(13)14)10-4(2)5(8)9/h1,5,12H.
What are the key properties of 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol?
5-bromo-6-(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 5-bromo-6-(difluoromethyl)-2-nitropyridin-3-ol is sourced from PubChem (CID 130110130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).