5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile

C8H5F2N3O3 — CID 130078702

IUPAC5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CO)nc1[N+](=O)[O-]
InChIInChI=1S/C8H5F2N3O3/c9-7(10)5-1-4(2-11)8(13(15)16)12-6(5)3-14/h1,7,14H,3H2
InChIKeyRJQGVNNYPJJXOR-UHFFFAOYSA-N
MW229.14 g/mol
LogP1.29
Rot. Bonds3

About 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile

5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile (PubChem CID 130078702) has the molecular formula C8H5F2N3O3 and a molecular weight of 229.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
PubChem CID130078702
Molecular FormulaC8H5F2N3O3
Molecular Weight229.14 g/mol
Exact Mass229.03
IUPAC Name5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(CO)nc1[N+](=O)[O-]
InChIInChI=1S/C8H5F2N3O3/c9-7(10)5-1-4(2-11)8(13(15)16)12-6(5)3-14/h1,7,14H,3H2
InChIKeyRJQGVNNYPJJXOR-UHFFFAOYSA-N
XLogP1.29
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 51.29
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

5-(difluoromethyl)-6-fluoro-2-nitropyridine-3-carbonitrile
CID 134685609
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265
5-cyano-3-(difluoromethyl)-6-nitropyridine-2-sulfonamide
CID 134676606
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
6-(bromomethyl)-5-(difluoromethyl)-2-nitropyridin-3-ol
CID 130084237
[5-(difluoromethyl)-6-nitro-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134678874
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707
3-(difluoromethyl)-6-fluoro-2-nitropyridine-4-carbonitrile
CID 134686625
[4-(difluoromethyl)-6-iodo-2-nitro-3-pyridinyl]methanol
CID 118852204
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile (CID 130078702) is 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(CO)nc1[N+](=O)[O-].
What is the InChIKey of 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile?
The InChIKey is RJQGVNNYPJJXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O3/c9-7(10)5-1-4(2-11)8(13(15)16)12-6(5)3-14/h1,7,14H,3H2.
What are the key properties of 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile?
5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile has a molecular weight of 229.14 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-(hydroxymethyl)-2-nitropyridine-3-carbonitrile is sourced from PubChem (CID 130078702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).