2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid

C10H12F2N2O3 — CID 133085224

IUPAC2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)nc1CN
InChIInChI=1S/C10H12F2N2O3/c1-17-8-2-5(10(11)12)6(3-9(15)16)14-7(8)4-13/h2,10H,3-4,13H2,1H3,(H,15,16)
InChIKeyHJJMNKBKEZGITP-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.11
Rot. Bonds5

About 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid

2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid (PubChem CID 133085224) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
PubChem CID133085224
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid
SMILESCOc1cc(C(F)F)c(CC(=O)O)nc1CN
InChIInChI=1S/C10H12F2N2O3/c1-17-8-2-5(10(11)12)6(3-9(15)16)14-7(8)4-13/h2,10H,3-4,13H2,1H3,(H,15,16)
InChIKeyHJJMNKBKEZGITP-UHFFFAOYSA-N
XLogP1.11
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]methanol
CID 118831446
2-[3-(difluoromethyl)-5,6-dimethoxy-2-pyridinyl]acetic acid
CID 134664061
2-[6-amino-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 119006598
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
[3-(difluoromethyl)-6-fluoro-5-methoxy-2-pyridinyl]methanamine
CID 118836880
ethyl 2-[6-(aminomethyl)-3-(difluoromethyl)-5-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134682247
methyl 2-[6-(aminomethyl)-5-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134670892
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
2-[6-bromo-3-(difluoromethyl)-4-methoxy-2-pyridinyl]acetic acid
CID 134671684
2-[6-(difluoromethyl)-3-methoxy-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118826511
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 133085326

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid (CID 133085224) is 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid is COc1cc(C(F)F)c(CC(=O)O)nc1CN.
What is the InChIKey of 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
The InChIKey is HJJMNKBKEZGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-17-8-2-5(10(11)12)6(3-9(15)16)14-7(8)4-13/h2,10H,3-4,13H2,1H3,(H,15,16).
What are the key properties of 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid?
2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 133085224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).