3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride

C7H4Cl2F2N2O — CID 130103026

IUPAC3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESNc1c(Cl)ncc(C(F)F)c1C(=O)Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-5-4(12)3(6(9)14)2(1-13-5)7(10)11/h1,7H,12H2
InChIKeyOLQDBPPLONDNDK-UHFFFAOYSA-N
MW241.02 g/mol
LogP2.63
Rot. Bonds2

About 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride

3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride (PubChem CID 130103026) has the molecular formula C7H4Cl2F2N2O and a molecular weight of 241.02 g/mol. Its IUPAC name is 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride.

Molecular Properties

Compound Name3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
PubChem CID130103026
Molecular FormulaC7H4Cl2F2N2O
Molecular Weight241.02 g/mol
Exact Mass239.97
IUPAC Name3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
SMILESNc1c(Cl)ncc(C(F)F)c1C(=O)Cl
InChIInChI=1S/C7H4Cl2F2N2O/c8-5-4(12)3(6(9)14)2(1-13-5)7(10)11/h1,7H,12H2
InChIKeyOLQDBPPLONDNDK-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

5-amino-2-chloro-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103047
4-amino-2-chloro-5-(difluoromethyl)pyridin-3-ol
CID 118829005
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
5-amino-3-(difluoromethyl)pyridine-2-carbonyl chloride
CID 130094918
4-bromo-2-chloro-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 118845722
2-chloro-3-cyano-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 119015603
methyl 2-[3-amino-2-chloro-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134683940
3-chloro-5-(difluoromethyl)-2-nitropyridine-4-carbonyl chloride
CID 134685592
3-amino-5-(difluoromethyl)-4-iodopyridine-2-carbonyl chloride
CID 130105680
3-(bromomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075315
5-amino-4-(difluoromethyl)-2-fluoropyridine-3-carbonyl chloride
CID 130104371
2-bromo-3-chloro-5-(difluoromethyl)pyridine-4-carboxamide
CID 118999675

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride?
The IUPAC name of 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride (CID 130103026) is 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride.
What is the SMILES notation for 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride?
The canonical SMILES for 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride is Nc1c(Cl)ncc(C(F)F)c1C(=O)Cl.
What is the InChIKey of 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride?
The InChIKey is OLQDBPPLONDNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2F2N2O/c8-5-4(12)3(6(9)14)2(1-13-5)7(10)11/h1,7H,12H2.
What are the key properties of 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride?
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-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 3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride is sourced from PubChem (CID 130103026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).