4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride

C8H5ClF2N2O3 — CID 133099090

IUPAC4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O3/c1-3-6(13(15)16)4(8(10)11)2-5(12-3)7(9)14/h2,8H,1H3
InChIKeySWLRANPHWGLNEW-UHFFFAOYSA-N
MW250.59 g/mol
LogP2.61
Rot. Bonds3

About 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride

4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride (PubChem CID 133099090) has the molecular formula C8H5ClF2N2O3 and a molecular weight of 250.59 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
PubChem CID133099090
Molecular FormulaC8H5ClF2N2O3
Molecular Weight250.59 g/mol
Exact Mass250.00
IUPAC Name4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride
SMILESCc1nc(C(=O)Cl)cc(C(F)F)c1[N+](=O)[O-]
InChIInChI=1S/C8H5ClF2N2O3/c1-3-6(13(15)16)4(8(10)11)2-5(12-3)7(9)14/h2,8H,1H3
InChIKeySWLRANPHWGLNEW-UHFFFAOYSA-N
XLogP2.61
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.59
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_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

4-chloro-6-(difluoromethyl)-5-nitropyridine-2-carbonyl chloride
CID 118833974
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbonyl chloride
CID 118803999
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
2-[4-(difluoromethyl)-6-methyl-3-nitro-2-pyridinyl]acetic acid
CID 118839869
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
4-(difluoromethyl)-5-nitro-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805923
5-(difluoromethyl)-3-nitro-2-oxo-1H-pyridine-4-carbonyl chloride
CID 133103135
5-(difluoromethyl)-2-methyl-3-nitropyridine-4-carboxylic acid
CID 130088351
5-(difluoromethyl)-4-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104632
ethyl 6-amino-4-(difluoromethyl)-3-nitropyridine-2-carboxylate
CID 134670512
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride?
The IUPAC name of 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride (CID 133099090) is 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride is Cc1nc(C(=O)Cl)cc(C(F)F)c1[N+](=O)[O-].
What is the InChIKey of 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride?
The InChIKey is SWLRANPHWGLNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O3/c1-3-6(13(15)16)4(8(10)11)2-5(12-3)7(9)14/h2,8H,1H3.
What are the key properties of 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride?
4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride has a molecular weight of 250.59 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-methyl-5-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 133099090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).