2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

C10H11F3N2O3 — CID 133085515

IUPAC2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESCc1cc(OC(F)(F)F)nc(CC(=O)O)c1CN
InChIInChI=1S/C10H11F3N2O3/c1-5-2-8(18-10(11,12)13)15-7(3-9(16)17)6(5)4-14/h2H,3-4,14H2,1H3,(H,16,17)
InChIKeyOQTLKDJFYQLIGP-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.37
Rot. Bonds4

About 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 133085515) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID133085515
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Name2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESCc1cc(OC(F)(F)F)nc(CC(=O)O)c1CN
InChIInChI=1S/C10H11F3N2O3/c1-5-2-8(18-10(11,12)13)15-7(3-9(16)17)6(5)4-14/h2H,3-4,14H2,1H3,(H,16,17)
InChIKeyOQTLKDJFYQLIGP-UHFFFAOYSA-N
XLogP1.37
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833
2-[6-(aminomethyl)-5-methyl-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118836988
[2,4-dimethyl-6-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 131266022
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
2-[6-(aminomethyl)-4-methyl-2-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133085499
2-[2-(aminomethyl)-6-methoxy-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134660439
ethyl 2-[2-(aminomethyl)-4-fluoro-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134677110
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134661435
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
ethyl 2-[3-methoxy-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681853
2-[2-amino-6-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119025293
methyl 2-[2-(aminomethyl)-4-methoxy-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668160

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 133085515) is 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is Cc1cc(OC(F)(F)F)nc(CC(=O)O)c1CN.
What is the InChIKey of 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is OQTLKDJFYQLIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-5-2-8(18-10(11,12)13)15-7(3-9(16)17)6(5)4-14/h2H,3-4,14H2,1H3,(H,16,17).
What are the key properties of 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133085515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).