2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

C9H9F3N2O2 — CID 118836900

IUPAC2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESNCc1nc(F)c(C(F)F)cc1CC(=O)O
InChIInChI=1S/C9H9F3N2O2/c10-8(11)5-1-4(2-7(15)16)6(3-13)14-9(5)12/h1,8H,2-3,13H2,(H,15,16)
InChIKeyYHVDTYQVILESFV-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.24
Rot. Bonds4

About 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid

2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (PubChem CID 118836900) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
PubChem CID118836900
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
SMILESNCc1nc(F)c(C(F)F)cc1CC(=O)O
InChIInChI=1S/C9H9F3N2O2/c10-8(11)5-1-4(2-7(15)16)6(3-13)14-9(5)12/h1,8H,2-3,13H2,(H,15,16)
InChIKeyYHVDTYQVILESFV-UHFFFAOYSA-N
XLogP1.24
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]methanol
CID 130081622
2-[5-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetic acid
CID 119000090
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
2-[5-(difluoromethyl)-6-fluoro-2-pyridinyl]acetic acid
CID 130096523
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
5-(difluoromethyl)-3,6-difluoropyridine-2-carboxamide
CID 119003203
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
CID 133085224
2-[3-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133103727
2-[4-(difluoromethyl)-3-fluoro-6-methyl-2-pyridinyl]acetic acid
CID 118846525
2-[5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid
CID 130096522
[5-(difluoromethyl)-6-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130081564
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid (CID 118836900) is 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is NCc1nc(F)c(C(F)F)cc1CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
The InChIKey is YHVDTYQVILESFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-8(11)5-1-4(2-7(15)16)6(3-13)14-9(5)12/h1,8H,2-3,13H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid?
2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid has a molecular weight of 234.18 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-(difluoromethyl)-6-fluoro-3-pyridinyl]acetic acid is sourced from PubChem (CID 118836900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).