5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride

C7H5ClF2N2O — CID 130094918

IUPAC5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNc1cnc(C(=O)Cl)c(C(F)F)c1
InChIInChI=1S/C7H5ClF2N2O/c8-6(13)5-4(7(9)10)1-3(11)2-12-5/h1-2,7H,11H2
InChIKeyAOPMFEZQTSJWDK-UHFFFAOYSA-N
MW206.58 g/mol
LogP1.98
Rot. Bonds2

About 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride

5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 130094918) has the molecular formula C7H5ClF2N2O and a molecular weight of 206.58 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID130094918
Molecular FormulaC7H5ClF2N2O
Molecular Weight206.58 g/mol
Exact Mass206.01
IUPAC Name5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNc1cnc(C(=O)Cl)c(C(F)F)c1
InChIInChI=1S/C7H5ClF2N2O/c8-6(13)5-4(7(9)10)1-3(11)2-12-5/h1-2,7H,11H2
InChIKeyAOPMFEZQTSJWDK-UHFFFAOYSA-N
XLogP1.98
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 5-amino-3-(difluoromethyl)pyridine-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

5-(bromomethyl)-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130098296
[5-amino-3-(difluoromethyl)-2-pyridinyl]-(azetidin-1-yl)methanone
CID 156563534
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
5-(difluoromethyl)-3,4-diiodopyridine-2-carbonyl chloride
CID 130100736
4-(difluoromethyl)-5-methylpyridine-2-carbonyl chloride
CID 118840590
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
4-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 118845560
5-(difluoromethyl)-4-fluoro-3-methylpyridine-2-carbonyl chloride
CID 130081258
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
5-bromo-3-(difluoromethyl)-6-fluoropyridine-2-carbonyl chloride
CID 130109884
3-amino-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
CID 130104261

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride (CID 130094918) is 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride is Nc1cnc(C(=O)Cl)c(C(F)F)c1.
What is the InChIKey of 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is AOPMFEZQTSJWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O/c8-6(13)5-4(7(9)10)1-3(11)2-12-5/h1-2,7H,11H2.
What are the key properties of 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride?
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride has a molecular weight of 206.58 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 130094918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).