2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid

C10H12F2N2O3 — CID 171922378

IUPAC2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)nc(CC(=O)O)c(C)c1N
InChIInChI=1S/C10H12F2N2O3/c1-4-5(3-6(15)16)14-8(10(11)12)9(17-2)7(4)13/h10H,3H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyOPHNPWMLKUATGL-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid

2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid (PubChem CID 171922378) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid
PubChem CID171922378
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid
SMILESCOc1c(C(F)F)nc(CC(=O)O)c(C)c1N
InChIInChI=1S/C10H12F2N2O3/c1-4-5(3-6(15)16)14-8(10(11)12)9(17-2)7(4)13/h10H,3H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyOPHNPWMLKUATGL-UHFFFAOYSA-N
XLogP1.55
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate
CID 171922377
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
2-[3-amino-2-(difluoromethyl)-6-methoxy-4-pyridinyl]acetic acid
CID 134676666
2-[6-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetic acid
CID 118848636
2-[6-(difluoromethyl)-5-iodo-3-methyl-2-pyridinyl]acetic acid
CID 130086318
2-[5-amino-6-(difluoromethyl)-4-methyl-3-pyridinyl]acetic acid
CID 134663918
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid (CID 171922378) is 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid is COc1c(C(F)F)nc(CC(=O)O)c(C)c1N.
What is the InChIKey of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid?
The InChIKey is OPHNPWMLKUATGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-4-5(3-6(15)16)14-8(10(11)12)9(17-2)7(4)13/h10H,3H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid?
2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid is sourced from PubChem (CID 171922378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).