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

C7H5ClF2N2O3 — CID 118832842

IUPAC2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(O)c(CCl)nc1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c8-2-3-5(13)1-4(12(14)15)6(11-3)7(9)10/h1,7,13H,2H2
InChIKeyMPLLTTHYLMUQFP-UHFFFAOYSA-N
MW238.58 g/mol
LogP2.37
Rot. Bonds3

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

2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol (PubChem CID 118832842) has the molecular formula C7H5ClF2N2O3 and a molecular weight of 238.58 g/mol. Its IUPAC name is 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol.

Molecular Properties

Compound Name2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
PubChem CID118832842
Molecular FormulaC7H5ClF2N2O3
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
SMILESO=[N+]([O-])c1cc(O)c(CCl)nc1C(F)F
InChIInChI=1S/C7H5ClF2N2O3/c8-2-3-5(13)1-4(12(14)15)6(11-3)7(9)10/h1,7,13H,2H2
InChIKeyMPLLTTHYLMUQFP-UHFFFAOYSA-N
XLogP2.37
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-2-(difluoromethyl)-6-fluoro-3-nitropyridine
CID 130081475
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
[6-(difluoromethyl)-5-nitro-3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118803451
2-[2-chloro-6-(difluoromethyl)-5-nitro-3-pyridinyl]acetic acid
CID 134674999
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
3-(chloromethyl)-2-(difluoromethyl)-6-iodo-5-nitropyridine
CID 130086601
2-chloro-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119007926
2-[5-chloro-6-(difluoromethyl)-3-nitro-2-pyridinyl]acetic acid
CID 134685549
6-(chloromethyl)-5-nitro-2-(trifluoromethoxy)pyridin-3-ol
CID 118838420
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
3-(chloromethyl)-2-(difluoromethyl)-6-methyl-4-nitropyridine
CID 130088228

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol?
The IUPAC name of 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol (CID 118832842) is 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol.
What is the SMILES notation for 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol?
The canonical SMILES for 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol is O=[N+]([O-])c1cc(O)c(CCl)nc1C(F)F.
What is the InChIKey of 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol?
The InChIKey is MPLLTTHYLMUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O3/c8-2-3-5(13)1-4(12(14)15)6(11-3)7(9)10/h1,7,13H,2H2.
What are the key properties of 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol?
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol has a molecular weight of 238.58 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol is sourced from PubChem (CID 118832842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).