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

C10H11F2N2O3- — CID 171922377

IUPAC2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate
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)/p-1
InChIKeyOPHNPWMLKUATGL-UHFFFAOYSA-M
MW245.20 g/mol
LogP0.21
Rot. Bonds4

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

2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate (PubChem CID 171922377) has the molecular formula C10H11F2N2O3- and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Name2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate
PubChem CID171922377
Molecular FormulaC10H11F2N2O3-
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate
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)/p-1
InChIKeyOPHNPWMLKUATGL-UHFFFAOYSA-M
XLogP0.21
TPSA88.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetic acid
CID 171922378
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
6-(difluoromethyl)-5-methoxy-4-methylpyridin-2-amine
CID 130105821
2-[6-(difluoromethyl)-5-methoxy-4-methyl-3-pyridinyl]acetic acid
CID 118837312
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
4-amino-6-(difluoromethyl)-5-methoxypyridine-2-carboxamide
CID 118801026
ethyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085207
4-amino-6-(difluoromethyl)-5-methoxypyridine-3-carbonyl chloride
CID 118829154
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
methyl 4-(aminomethyl)-6-(difluoromethyl)-5-methoxypyridine-2-carboxylate
CID 133085156
ethyl 2-[6-amino-4-(difluoromethyl)-3-methoxy-2-pyridinyl]acetate
CID 134683798

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate?
The IUPAC name of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate (CID 171922377) is 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate.
What is the SMILES notation for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate?
The canonical SMILES for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate 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]acetate?
The InChIKey is OPHNPWMLKUATGL-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate?
2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate has a molecular weight of 245.20 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 171922377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).