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

C9H4BrClF5NO2 — CID 134661099

IUPAC5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ncc(CBr)c1C(F)F
InChIInChI=1S/C9H4BrClF5NO2/c10-1-3-2-17-8(19-9(14,15)16)5(6(11)18)4(3)7(12)13/h2,7H,1H2
InChIKeyKILCHQGIYYSCBE-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.19
Rot. Bonds4

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

5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (PubChem CID 134661099) has the molecular formula C9H4BrClF5NO2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.

Molecular Properties

Compound Name5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
PubChem CID134661099
Molecular FormulaC9H4BrClF5NO2
Molecular Weight368.48 g/mol
Exact Mass366.90
IUPAC Name5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
SMILESO=C(Cl)c1c(OC(F)(F)F)ncc(CBr)c1C(F)F
InChIInChI=1S/C9H4BrClF5NO2/c10-1-3-2-17-8(19-9(14,15)16)5(6(11)18)4(3)7(12)13/h2,7H,1H2
InChIKeyKILCHQGIYYSCBE-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'}

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Related Compounds

4-(bromomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662832
5-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carbonyl chloride
CID 134662816
2-[4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134663634
5-(bromomethyl)-3-(difluoromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine
CID 134662895
4-(bromomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridin-3-ol
CID 134677098
5-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134670456
[5-(chloromethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134668063
5-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134672296
2-[5-(aminomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134668988
[4-(difluoromethyl)-5-fluoro-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 118806347
5-(aminomethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonyl chloride
CID 134672585
ethyl 2-[5-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134679121

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The IUPAC name of 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride (CID 134661099) is 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride.
What is the SMILES notation for 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The canonical SMILES for 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is O=C(Cl)c1c(OC(F)(F)F)ncc(CBr)c1C(F)F.
What is the InChIKey of 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
The InChIKey is KILCHQGIYYSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrClF5NO2/c10-1-3-2-17-8(19-9(14,15)16)5(6(11)18)4(3)7(12)13/h2,7H,1H2.
What are the key properties of 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride?
5-(bromomethyl)-4-(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 5-(bromomethyl)-4-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carbonyl chloride is sourced from PubChem (CID 134661099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).