2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid

C10H10ClF2NO2 — CID 118826893

IUPAC2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(CC(=O)O)nc1CCl
InChIInChI=1S/C10H10ClF2NO2/c1-5-2-6(10(12)13)7(3-9(15)16)14-8(5)4-11/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyNQEYIPDJZLEGFZ-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.69
Rot. Bonds4

About 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid

2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid (PubChem CID 118826893) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
PubChem CID118826893
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
SMILESCc1cc(C(F)F)c(CC(=O)O)nc1CCl
InChIInChI=1S/C10H10ClF2NO2/c1-5-2-6(10(12)13)7(3-9(15)16)14-8(5)4-11/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyNQEYIPDJZLEGFZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.64
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(chloromethyl)-2-(difluoromethyl)-5-methyl-3-pyridinyl]acetic acid
CID 118854250
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[5-chloro-3-(difluoromethyl)-6-methyl-2-pyridinyl]acetic acid
CID 130074460
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074442
2-[6-(bromomethyl)-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118849600
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
2-[6-(bromomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 130084993
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid (CID 118826893) is 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid is Cc1cc(C(F)F)c(CC(=O)O)nc1CCl.
What is the InChIKey of 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid?
The InChIKey is NQEYIPDJZLEGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5-2-6(10(12)13)7(3-9(15)16)14-8(5)4-11/h2,10H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid?
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid has a molecular weight of 249.64 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 118826893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).