5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

C10H7ClF5NO2 — CID 19813975

IUPAC5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(CCl)c(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C10H7ClF5NO2/c1-3-4(2-11)7(10(14,15)16)17-6(8(12)13)5(3)9(18)19/h8H,2H2,1H3,(H,18,19)
InChIKeyUPCSCPBGRZCIRJ-UHFFFAOYSA-N
MW303.61 g/mol
LogP3.78
Rot. Bonds3

About 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid

5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 19813975) has the molecular formula C10H7ClF5NO2 and a molecular weight of 303.61 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID19813975
Molecular FormulaC10H7ClF5NO2
Molecular Weight303.61 g/mol
Exact Mass303.01
IUPAC Name5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESCc1c(CCl)c(C(F)(F)F)nc(C(F)F)c1C(=O)O
InChIInChI=1S/C10H7ClF5NO2/c1-3-4(2-11)7(10(14,15)16)17-6(8(12)13)5(3)9(18)19/h8H,2H2,1H3,(H,18,19)
InChIKeyUPCSCPBGRZCIRJ-UHFFFAOYSA-N
XLogP3.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.61
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid (CID 19813975) is 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is Cc1c(CCl)c(C(F)(F)F)nc(C(F)F)c1C(=O)O.
What is the InChIKey of 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is UPCSCPBGRZCIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF5NO2/c1-3-4(2-11)7(10(14,15)16)17-6(8(12)13)5(3)9(18)19/h8H,2H2,1H3,(H,18,19).
What are the key properties of 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid?
5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 303.61 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 19813975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).