2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid

C10H10ClF2NO3 — CID 133099810

IUPAC2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)ncc(C(F)F)c1CCl
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-5(3-11)6(10(12)13)4-14-7(9)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyWCYLKDAGFJCPCN-UHFFFAOYSA-N
MW265.64 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid

2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid (PubChem CID 133099810) has the molecular formula C10H10ClF2NO3 and a molecular weight of 265.64 g/mol. Its IUPAC name is 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
PubChem CID133099810
Molecular FormulaC10H10ClF2NO3
Molecular Weight265.64 g/mol
Exact Mass265.03
IUPAC Name2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
SMILESCOc1c(CC(=O)O)ncc(C(F)F)c1CCl
InChIInChI=1S/C10H10ClF2NO3/c1-17-9-5(3-11)6(10(12)13)4-14-7(9)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyWCYLKDAGFJCPCN-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'}

Analyze 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(chloromethyl)-5-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 133099654
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845
2-[6-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133099163
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
[4-(chloromethyl)-5-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130090443
[3-chloro-5-(difluoromethyl)-4-methoxy-2-pyridinyl]methanol
CID 130073890
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534

Frequently Asked Questions

What is the IUPAC name of 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid (CID 133099810) is 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid is COc1c(CC(=O)O)ncc(C(F)F)c1CCl.
What is the InChIKey of 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
The InChIKey is WCYLKDAGFJCPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO3/c1-17-9-5(3-11)6(10(12)13)4-14-7(9)2-8(15)16/h4,10H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid?
2-[4-(chloromethyl)-5-(difluoromethyl)-3-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-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 133099810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).