4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride

C9H4BrClF5NO2 — CID 134662832

IUPAC4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ncc(C(F)F)c1CBr
InChIInChI=1S/C9H4BrClF5NO2/c10-1-3-4(7(12)13)2-17-8(5(3)6(11)18)19-9(14,15)16/h2,7H,1H2
InChIKeyMSSNYOLEEMZHTE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.19
Rot. Bonds4

About 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride

4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 134662832) has the molecular formula C9H4BrClF5NO2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID134662832
Molecular FormulaC9H4BrClF5NO2
Molecular Weight368.48 g/mol
Exact Mass366.90
IUPAC Name4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ncc(C(F)F)c1CBr
InChIInChI=1S/C9H4BrClF5NO2/c10-1-3-4(7(12)13)2-17-8(5(3)6(11)18)19-9(14,15)16/h2,7H,1H2
InChIKeyMSSNYOLEEMZHTE-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-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)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134661099
5-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662816
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
3-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134669064
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
4-(bromomethyl)-5-(difluoromethyl)-2-methoxy-3-(trifluoromethoxy)pyridine
CID 134675551
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
methyl 2-[3-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682144
ethyl 2-[4-(chloromethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134661063
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
2-(bromomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118827001

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 134662832) is 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is O=C(Cl)c1c(OC(F)(F)F)ncc(C(F)F)c1CBr.
What is the InChIKey of 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is MSSNYOLEEMZHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF5NO2/c10-1-3-4(7(12)13)2-17-8(5(3)6(11)18)19-9(14,15)16/h2,7H,1H2.
What are the key properties of 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride has a molecular weight of 368.48 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 134662832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).