6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride

C9H6ClF5N2O2 — CID 118808665

IUPAC6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESNCc1nc(OC(F)(F)F)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-6(18)4-1-3(7(11)12)5(2-16)17-8(4)19-9(13,14)15/h1,7H,2,16H2
InChIKeyWMIMYAXCRIGENH-UHFFFAOYSA-N
MW304.60 g/mol
LogP2.76
Rot. Bonds4

About 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride

6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 118808665) has the molecular formula C9H6ClF5N2O2 and a molecular weight of 304.60 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID118808665
Molecular FormulaC9H6ClF5N2O2
Molecular Weight304.60 g/mol
Exact Mass304.00
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESNCc1nc(OC(F)(F)F)c(C(=O)Cl)cc1C(F)F
InChIInChI=1S/C9H6ClF5N2O2/c10-6(18)4-1-3(7(11)12)5(2-16)17-8(4)19-9(13,14)15/h1,7H,2,16H2
InChIKeyWMIMYAXCRIGENH-UHFFFAOYSA-N
XLogP2.76
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.60
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 118808647
methyl 6-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668977
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134669897
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 118826646
methyl 6-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-3-carboxylate
CID 134662437
2-[6-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118836861
5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
5-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethoxy)pyridin-3-ol
CID 134660021
ethyl 6-(aminomethyl)-5-(difluoromethyl)-2-methylpyridine-3-carboxylate
CID 133098479
ethyl 2-[6-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682247
ethyl 5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677568
6-(chloromethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672327

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 118808665) is 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is NCc1nc(OC(F)(F)F)c(C(=O)Cl)cc1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is WMIMYAXCRIGENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF5N2O2/c10-6(18)4-1-3(7(11)12)5(2-16)17-8(4)19-9(13,14)15/h1,7H,2,16H2.
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride has a molecular weight of 304.60 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 118808665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).