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

C10H9F5N2O3 — CID 134661435

IUPAC2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1c(OC(F)(F)F)cc(C(F)F)nc1CC(=O)O
InChIInChI=1S/C10H9F5N2O3/c11-9(12)6-1-7(20-10(13,14)15)4(3-16)5(17-6)2-8(18)19/h1,9H,2-3,16H2,(H,18,19)
InChIKeyAPDDADNSLIUHGC-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.00
Rot. Bonds5

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

2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 134661435) has the molecular formula C10H9F5N2O3 and a molecular weight of 300.18 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID134661435
Molecular FormulaC10H9F5N2O3
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Name2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESNCc1c(OC(F)(F)F)cc(C(F)F)nc1CC(=O)O
InChIInChI=1S/C10H9F5N2O3/c11-9(12)6-1-7(20-10(13,14)15)4(3-16)5(17-6)2-8(18)19/h1,9H,2-3,16H2,(H,18,19)
InChIKeyAPDDADNSLIUHGC-UHFFFAOYSA-N
XLogP2.00
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(bromomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134673140
2-[6-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670201
2-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118836960
2-[2-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 118820188
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 134672673
2-[2-cyano-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 119014377
ethyl 2-[3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659310
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663
ethyl 2-[2-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671836
2-[6-(chloromethyl)-3-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134670662
2-[4-(aminomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134672739
2-[3-(aminomethyl)-4-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 133085515

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 134661435) is 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid is NCc1c(OC(F)(F)F)cc(C(F)F)nc1CC(=O)O.
What is the InChIKey of 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is APDDADNSLIUHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3/c11-9(12)6-1-7(20-10(13,14)15)4(3-16)5(17-6)2-8(18)19/h1,9H,2-3,16H2,(H,18,19).
What are the key properties of 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 300.18 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 134661435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).