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

C7H4Cl2F2N2O — CID 130103005

IUPAC6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1nc(C(F)F)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-2(5(9)14)4(6(10)11)13-7(3)12/h1,6H,(H2,12,13)
InChIKeyVQPXVUFECGYISZ-UHFFFAOYSA-N
MW241.02 g/mol
LogP2.63
Rot. Bonds2

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

6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (PubChem CID 130103005) has the molecular formula C7H4Cl2F2N2O and a molecular weight of 241.02 g/mol. Its IUPAC name is 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
PubChem CID130103005
Molecular FormulaC7H4Cl2F2N2O
Molecular Weight241.02 g/mol
Exact Mass239.97
IUPAC Name6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
SMILESNc1nc(C(F)F)c(C(=O)Cl)cc1Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-2(5(9)14)4(6(10)11)13-7(3)12/h1,6H,(H2,12,13)
InChIKeyVQPXVUFECGYISZ-UHFFFAOYSA-N
XLogP2.63
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.02
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 134661763
5-bromo-6-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130108415
2-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonyl chloride
CID 118809674
methyl 2-[6-amino-5-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134683935
5,6-diamino-2-(difluoromethyl)pyridine-3-carboxamide
CID 119003054
2-(difluoromethyl)-5-iodo-6-methylpyridine-3-carbonyl chloride
CID 118849139
6-cyano-2-(difluoromethyl)-5-hydroxypyridine-3-carbonyl chloride
CID 134674654
2-(difluoromethyl)-5-methoxy-6-methylpyridine-3-carbonyl chloride
CID 118826600
2-(difluoromethyl)-5-hydroxy-6-nitropyridine-3-carbonyl chloride
CID 118843487
methyl 6-amino-2-(difluoromethyl)-5-hydroxypyridine-3-carboxylate
CID 130104947
6-amino-5-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104341
3-chloro-2-(difluoromethyl)-6-methylpyridine-4-carbonyl chloride
CID 130074502

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The IUPAC name of 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride (CID 130103005) is 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is Nc1nc(C(F)F)c(C(=O)Cl)cc1Cl.
What is the InChIKey of 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
The InChIKey is VQPXVUFECGYISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O/c8-3-1-2(5(9)14)4(6(10)11)13-7(3)12/h1,6H,(H2,12,13).
What are the key properties of 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride?
6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride has a molecular weight of 241.02 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-2-(difluoromethyl)pyridine-3-carbonyl chloride is sourced from PubChem (CID 130103005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).