5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride

C7H4ClF2N3O3 — CID 134683686

IUPAC5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
SMILESNc1cc(C(F)F)c(C(=O)Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF2N3O3/c8-5(14)4-2(6(9)10)1-3(11)7(12-4)13(15)16/h1,6H,11H2
InChIKeyWIDZYNIWQVTJDD-UHFFFAOYSA-N
MW251.58 g/mol
LogP1.89
Rot. Bonds3

About 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride

5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride (PubChem CID 134683686) has the molecular formula C7H4ClF2N3O3 and a molecular weight of 251.58 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
PubChem CID134683686
Molecular FormulaC7H4ClF2N3O3
Molecular Weight251.58 g/mol
Exact Mass250.99
IUPAC Name5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
SMILESNc1cc(C(F)F)c(C(=O)Cl)nc1[N+](=O)[O-]
InChIInChI=1S/C7H4ClF2N3O3/c8-5(14)4-2(6(9)10)1-3(11)7(12-4)13(15)16/h1,6H,11H2
InChIKeyWIDZYNIWQVTJDD-UHFFFAOYSA-N
XLogP1.89
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.58
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carbonyl chloride
CID 133104450
5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride
CID 134670979
6-chloro-5-(difluoromethyl)-2-nitropyridin-3-amine
CID 130102626
5-(difluoromethyl)-3-iodo-6-nitropyridine-2-carbonyl chloride
CID 133100866
3-(difluoromethyl)-5-fluoro-6-nitropyridine-2-carboxylic acid
CID 130081519
4-(difluoromethyl)-3-hydroxy-6-nitropyridine-2-carbonyl chloride
CID 118829446
2-[5-amino-3-(difluoromethyl)-6-nitro-2-pyridinyl]acetonitrile
CID 130106916
ethyl 5-chloro-3-(difluoromethyl)-6-nitropyridine-2-carboxylate
CID 134684763
5-(difluoromethyl)-4-nitropyridine-2-carbonyl chloride
CID 134672843
6-amino-5-(difluoromethyl)-3-nitropyridine-2-carboxamide
CID 119023564
[5-amino-2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 130106958
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride?
The IUPAC name of 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride (CID 134683686) is 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride?
The canonical SMILES for 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride is Nc1cc(C(F)F)c(C(=O)Cl)nc1[N+](=O)[O-].
What is the InChIKey of 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride?
The InChIKey is WIDZYNIWQVTJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClF2N3O3/c8-5(14)4-2(6(9)10)1-3(11)7(12-4)13(15)16/h1,6H,11H2.
What are the key properties of 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride?
5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride has a molecular weight of 251.58 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-6-nitropyridine-2-carbonyl chloride is sourced from PubChem (CID 134683686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).