2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol

C7H6F2N2O4 — CID 118826123

IUPAC2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
SMILESCOc1cc([N+](=O)[O-])nc(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O4/c1-15-3-2-4(11(13)14)10-5(6(3)12)7(8)9/h2,7,12H,1H3
InChIKeyHJXSMFVBQKLDPR-UHFFFAOYSA-N
MW220.13 g/mol
LogP1.64
Rot. Bonds3

About 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol

2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol (PubChem CID 118826123) has the molecular formula C7H6F2N2O4 and a molecular weight of 220.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
PubChem CID118826123
Molecular FormulaC7H6F2N2O4
Molecular Weight220.13 g/mol
Exact Mass220.03
IUPAC Name2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol
SMILESCOc1cc([N+](=O)[O-])nc(C(F)F)c1O
InChIInChI=1S/C7H6F2N2O4/c1-15-3-2-4(11(13)14)10-5(6(3)12)7(8)9/h2,7,12H,1H3
InChIKeyHJXSMFVBQKLDPR-UHFFFAOYSA-N
XLogP1.64
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-3-hydroxy-6-nitropyridine-4-carboxylic acid
CID 118831588
2-(difluoromethyl)-3,4-diiodo-6-nitropyridine
CID 118842792
3-(difluoromethyl)-4-methoxy-6-nitropyridine-2-sulfonamide
CID 133087613
2-(difluoromethyl)-6-fluoro-3-methoxy-5-nitropyridine
CID 118837551
methyl 4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carboxylate
CID 133103216
methyl 2-[2-(difluoromethyl)-4-iodo-6-nitro-3-pyridinyl]acetate
CID 133101527
2-(difluoromethyl)-4-methoxy-6-nitropyridine
CID 118803609
4-bromo-2-(difluoromethyl)-6-nitropyridin-3-amine
CID 130101830
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
2-(difluoromethyl)-5-methoxy-6-nitropyridine-3-carboxylic acid
CID 118826363
methyl 6-(difluoromethyl)-3-methoxy-5-nitropyridine-2-carboxylate
CID 133098599
6-(difluoromethyl)-5-methoxy-3-nitropyridin-2-amine
CID 119002952

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol (CID 118826123) is 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol is COc1cc([N+](=O)[O-])nc(C(F)F)c1O.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol?
The InChIKey is HJXSMFVBQKLDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O4/c1-15-3-2-4(11(13)14)10-5(6(3)12)7(8)9/h2,7,12H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol?
2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol has a molecular weight of 220.13 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxy-6-nitropyridin-3-ol is sourced from PubChem (CID 118826123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).