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

C7H4Cl2F2N2O — CID 118799690

IUPAC4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNc1cc(Cl)nc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-2(12)4(7(10)11)5(13-3)6(9)14/h1,7H,(H2,12,13)
InChIKeyOYSDENOUGBBCTQ-UHFFFAOYSA-N
MW241.02 g/mol
LogP2.63
Rot. Bonds2

About 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride

4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride (PubChem CID 118799690) has the molecular formula C7H4Cl2F2N2O and a molecular weight of 241.02 g/mol. Its IUPAC name is 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride.

Molecular Properties

Compound Name4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
PubChem CID118799690
Molecular FormulaC7H4Cl2F2N2O
Molecular Weight241.02 g/mol
Exact Mass239.97
IUPAC Name4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride
SMILESNc1cc(Cl)nc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C7H4Cl2F2N2O/c8-3-1-2(12)4(7(10)11)5(13-3)6(9)14/h1,7H,(H2,12,13)
InChIKeyOYSDENOUGBBCTQ-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(difluoromethyl)-6-methylpyridine-2-carbonyl chloride
CID 118828226
4-chloro-3-(difluoromethyl)-6-iodopyridine-2-carbonyl chloride
CID 118845152
6-chloro-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130072799
5-amino-4-(difluoromethyl)-3-hydroxypyridine-2-carbonyl chloride
CID 130105021
4-amino-3-(difluoromethyl)-6-methylpyridine-2-carboxamide
CID 118851007
4-amino-6-chloropyridine-2,3-dicarboxylic acid
CID 150705570
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
6-amino-5-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130106642
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103047
2-chloro-6-(chloromethyl)-3-(difluoromethyl)pyridin-4-amine
CID 130102739
6-cyano-3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 133107472
6-amino-3-(difluoromethyl)-2-iodopyridine-4-carbonyl chloride
CID 130105658

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The IUPAC name of 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride (CID 118799690) is 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride.
What is the SMILES notation for 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The canonical SMILES for 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride is Nc1cc(Cl)nc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride?
The InChIKey is OYSDENOUGBBCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O/c8-3-1-2(12)4(7(10)11)5(13-3)6(9)14/h1,7H,(H2,12,13).
What are the key properties of 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride?
4-amino-6-chloro-3-(difluoromethyl)pyridine-2-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 4-amino-6-chloro-3-(difluoromethyl)pyridine-2-carbonyl chloride is sourced from PubChem (CID 118799690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).