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

C9H10F2N2O3 — CID 118996845

IUPAC2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
SMILESCOc1c(N)ncc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H10F2N2O3/c1-16-7-4(2-6(14)15)5(8(10)11)3-13-9(7)12/h3,8H,2H2,1H3,(H2,12,13)(H,14,15)
InChIKeyJPZKBOOICSBKAT-UHFFFAOYSA-N
MW232.19 g/mol
LogP1.24
Rot. Bonds4

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

2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid (PubChem CID 118996845) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
PubChem CID118996845
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
SMILESCOc1c(N)ncc(C(F)F)c1CC(=O)O
InChIInChI=1S/C9H10F2N2O3/c1-16-7-4(2-6(14)15)5(8(10)11)3-13-9(7)12/h3,8H,2H2,1H3,(H2,12,13)(H,14,15)
InChIKeyJPZKBOOICSBKAT-UHFFFAOYSA-N
XLogP1.24
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]methanol
CID 119022056
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
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-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-methoxy-4-pyridinyl]acetate
CID 133105547
methyl 2-[2-chloro-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetate
CID 134663534
2-[4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 118800669
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119021570

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid?
The IUPAC name of 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid (CID 118996845) is 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid is COc1c(N)ncc(C(F)F)c1CC(=O)O.
What is the InChIKey of 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid?
The InChIKey is JPZKBOOICSBKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-16-7-4(2-6(14)15)5(8(10)11)3-13-9(7)12/h3,8H,2H2,1H3,(H2,12,13)(H,14,15).
What are the key properties of 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid?
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid has a molecular weight of 232.19 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid is sourced from PubChem (CID 118996845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).