2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid

C9H9ClF2N2O2 — CID 130107709

IUPAC2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)nc(CCl)c1CC(=O)O
InChIInChI=1S/C9H9ClF2N2O2/c10-3-7-4(1-8(15)16)5(13)2-6(14-7)9(11)12/h2,9H,1,3H2,(H2,13,14)(H,15,16)
InChIKeyHLBKWMMEUFPEGM-UHFFFAOYSA-N
MW250.63 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid

2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid (PubChem CID 130107709) has the molecular formula C9H9ClF2N2O2 and a molecular weight of 250.63 g/mol. Its IUPAC name is 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
PubChem CID130107709
Molecular FormulaC9H9ClF2N2O2
Molecular Weight250.63 g/mol
Exact Mass250.03
IUPAC Name2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
SMILESNc1cc(C(F)F)nc(CCl)c1CC(=O)O
InChIInChI=1S/C9H9ClF2N2O2/c10-3-7-4(1-8(15)16)5(13)2-6(14-7)9(11)12/h2,9H,1,3H2,(H2,13,14)(H,15,16)
InChIKeyHLBKWMMEUFPEGM-UHFFFAOYSA-N
XLogP1.97
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.63
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,4-diamino-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684321
[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]methanol
CID 130107519
ethyl 2-[4-amino-3-(chloromethyl)-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134685817
2-[3-(chloromethyl)-6-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130090638
2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
2-(chloromethyl)-6-(difluoromethyl)-3-methylpyridin-4-amine
CID 130106396
2-[3-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133105860
2-[4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 130070474
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118804360
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963
2-[4-amino-6-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118834821

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid (CID 130107709) is 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid is Nc1cc(C(F)F)nc(CCl)c1CC(=O)O.
What is the InChIKey of 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid?
The InChIKey is HLBKWMMEUFPEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2N2O2/c10-3-7-4(1-8(15)16)5(13)2-6(14-7)9(11)12/h2,9H,1,3H2,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid?
2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid has a molecular weight of 250.63 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(chloromethyl)-6-(difluoromethyl)-3-pyridinyl]acetic acid is sourced from PubChem (CID 130107709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).