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

C10H10ClF2NO2 — CID 130090617

IUPAC2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CCl)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H10ClF2NO2/c1-5-7(2-8(15)16)9(10(12)13)6(3-11)4-14-5/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyNVNHSJGVYBCNIX-UHFFFAOYSA-N
MW249.64 g/mol
LogP2.69
Rot. Bonds4

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

2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid (PubChem CID 130090617) has the molecular formula C10H10ClF2NO2 and a molecular weight of 249.64 g/mol. Its IUPAC name is 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
PubChem CID130090617
Molecular FormulaC10H10ClF2NO2
Molecular Weight249.64 g/mol
Exact Mass249.04
IUPAC Name2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid
SMILESCc1ncc(CCl)c(C(F)F)c1CC(=O)O
InChIInChI=1S/C10H10ClF2NO2/c1-5-7(2-8(15)16)9(10(12)13)6(3-11)4-14-5/h4,10H,2-3H2,1H3,(H,15,16)
InChIKeyNVNHSJGVYBCNIX-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-[5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetic acid
CID 130082416
2-[5-bromo-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130069504
2-[5-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetic acid
CID 130074453
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 130090379
2-[2-amino-5-(chloromethyl)-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119020769
2-[3-chloro-5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130075764
2-[5-(chloromethyl)-4-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 130082414
3-chloro-5-(chloromethyl)-4-(difluoromethyl)pyridine-2-carboxylic acid
CID 130075661
2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130075781
2-[5-(chloromethyl)-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetonitrile
CID 130090374
2-[2-(chloromethyl)-4-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetic acid
CID 118815646
2-[2-bromo-3-(difluoromethyl)-5-methyl-4-pyridinyl]acetic acid
CID 118999569

Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid (CID 130090617) is 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid is Cc1ncc(CCl)c(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
The InChIKey is NVNHSJGVYBCNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2NO2/c1-5-7(2-8(15)16)9(10(12)13)6(3-11)4-14-5/h4,10H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid?
2-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-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-[5-(chloromethyl)-4-(difluoromethyl)-2-methyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 130090617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).