2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid

C10H12F2N2O3 — CID 133085256

IUPAC2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(C(F)F)c(CN)c1CC(=O)O
InChIInChI=1S/C10H12F2N2O3/c1-17-10-5(2-8(15)16)6(3-13)7(4-14-10)9(11)12/h4,9H,2-3,13H2,1H3,(H,15,16)
InChIKeyKHAKMXIHMUVYRG-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.11
Rot. Bonds5

About 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid

2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid (PubChem CID 133085256) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
PubChem CID133085256
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Name2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
SMILESCOc1ncc(C(F)F)c(CN)c1CC(=O)O
InChIInChI=1S/C10H12F2N2O3/c1-17-10-5(2-8(15)16)6(3-13)7(4-14-10)9(11)12/h4,9H,2-3,13H2,1H3,(H,15,16)
InChIKeyKHAKMXIHMUVYRG-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

2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
[5-(difluoromethyl)-2-methoxy-3-methyl-4-pyridinyl]methanamine
CID 130087781
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845
2-[3-(aminomethyl)-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetic acid
CID 133085233
2-[3-(aminomethyl)-5-(difluoromethyl)-6-methoxy-2-pyridinyl]acetic acid
CID 133085247
methyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102118
ethyl 2-[5-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133102071
2-[4-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]acetic acid
CID 118839763
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631
2-[4-(difluoromethyl)-5,6-dimethoxy-3-pyridinyl]acetic acid
CID 134684702
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid (CID 133085256) is 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid is COc1ncc(C(F)F)c(CN)c1CC(=O)O.
What is the InChIKey of 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid?
The InChIKey is KHAKMXIHMUVYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-17-10-5(2-8(15)16)6(3-13)7(4-14-10)9(11)12/h4,9H,2-3,13H2,1H3,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid?
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-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-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid is sourced from PubChem (CID 133085256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).