6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid

C8H5Cl2F2NO2 — CID 130075642

IUPAC6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CCl)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5Cl2F2NO2/c9-2-3-1-4(10)13-6(7(11)12)5(3)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyFZRQJNPBJDSFGG-UHFFFAOYSA-N
MW256.04 g/mol
LogP3.11
Rot. Bonds3

About 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid

6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 130075642) has the molecular formula C8H5Cl2F2NO2 and a molecular weight of 256.04 g/mol. Its IUPAC name is 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID130075642
Molecular FormulaC8H5Cl2F2NO2
Molecular Weight256.04 g/mol
Exact Mass254.97
IUPAC Name6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1c(CCl)cc(Cl)nc1C(F)F
InChIInChI=1S/C8H5Cl2F2NO2/c9-2-3-1-4(10)13-6(7(11)12)5(3)8(14)15/h1,7H,2H2,(H,14,15)
InChIKeyFZRQJNPBJDSFGG-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.04
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,6-dichloro-4-(chloromethyl)-2-(difluoromethyl)pyridine
CID 130099341
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridine-3-carboxylic acid
CID 118996818
2-[6-chloro-2-(difluoromethyl)-4-iodo-3-pyridinyl]acetic acid
CID 130073442
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
5-(chloromethyl)-6-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130090507
4-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 130087240
ethyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 134662492
methyl 6-chloro-2-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 130072026
6-chloro-4-(difluoromethyl)-2-methylpyridine-3-carboxylic acid
CID 130074368
6-(1,1-difluoroethyl)-2-(difluoromethyl)-4-ethylpyridine-3-carboxylic acid
CID 165461594
methyl 6-chloro-2-(difluoromethyl)-4-iodopyridine-3-carboxylate
CID 130073398
6-chloro-4-(difluoromethyl)-2-nitropyridine-3-carboxylic acid
CID 130074851

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid (CID 130075642) is 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1c(CCl)cc(Cl)nc1C(F)F.
What is the InChIKey of 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is FZRQJNPBJDSFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F2NO2/c9-2-3-1-4(10)13-6(7(11)12)5(3)8(14)15/h1,7H,2H2,(H,14,15).
What are the key properties of 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid?
6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 256.04 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(chloromethyl)-2-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 130075642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).