2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid

C10H10ClF2NO3 — CID 133099163

IUPAC2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)cc(CC(=O)O)nc1CCl
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-6(10(12)13)2-5(3-8(15)16)14-7(9)4-11/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyBQNBHUKTMNHDMC-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.39
Rot. Bonds5

About 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid

2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid (PubChem CID 133099163) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
PubChem CID133099163
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)cc(CC(=O)O)nc1CCl
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-6(10(12)13)2-5(3-8(15)16)14-7(9)4-11/h2,10H,3-4H2,1H3,(H,15,16)
InChIKeyBQNBHUKTMNHDMC-UHFFFAOYSA-N
XLogP2.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.64
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-4-(difluoromethyl)-6-iodo-3-methoxypyridine
CID 118809962
2-[6-(chloromethyl)-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetonitrile
CID 130091380
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810
2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
2-[6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118838270
2-[6-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118991959
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
2-[5-amino-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130102982
2-[6-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetic acid
CID 118826893
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040
ethyl 2-[6-chloro-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134669651
2-[5-chloro-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetic acid
CID 130073451

Frequently Asked Questions

What is the IUPAC name of 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid (CID 133099163) is 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid is COc1c(C(F)F)cc(CC(=O)O)nc1CCl.
What is the InChIKey of 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The InChIKey is BQNBHUKTMNHDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-17-9-6(10(12)13)2-5(3-8(15)16)14-7(9)4-11/h2,10H,3-4H2,1H3,(H,15,16).
What are the key properties of 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid has a molecular weight of 265.64 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 133099163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).