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

C10H9F2N3O2 — CID 133107162

IUPAC2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESN#Cc1c(CC(=O)O)cc(CN)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(2-8(16)17)1-6(3-13)15-9/h1,10H,2-3,13H2,(H,16,17)
InChIKeyOBYYFRBHSGTBTK-UHFFFAOYSA-N
MW241.20 g/mol
LogP0.98
Rot. Bonds4

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

2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid (PubChem CID 133107162) has the molecular formula C10H9F2N3O2 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
PubChem CID133107162
Molecular FormulaC10H9F2N3O2
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid
SMILESN#Cc1c(CC(=O)O)cc(CN)nc1C(F)F
InChIInChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(2-8(16)17)1-6(3-13)15-9/h1,10H,2-3,13H2,(H,16,17)
InChIKeyOBYYFRBHSGTBTK-UHFFFAOYSA-N
XLogP0.98
TPSA100.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130108753
2-[6-(aminomethyl)-2-(difluoromethyl)-3-iodo-4-pyridinyl]acetic acid
CID 133101376
2-[4-chloro-5-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130071417
2-[5-(aminomethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106969
2-[6-(aminomethyl)-2-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 133085230
2-[4-cyano-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetic acid
CID 130077721
2-[4-(aminomethyl)-6-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118801084
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
2-[4-(aminomethyl)-5-chloro-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118807335
2-[5-amino-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 134673428
2-[2-(chloromethyl)-3-cyano-6-(difluoromethyl)-4-pyridinyl]acetic acid
CID 118821254
2-[4-bromo-3-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 118838596

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid (CID 133107162) is 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid is N#Cc1c(CC(=O)O)cc(CN)nc1C(F)F.
What is the InChIKey of 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid?
The InChIKey is OBYYFRBHSGTBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2/c11-10(12)9-7(4-14)5(2-8(16)17)1-6(3-13)15-9/h1,10H,2-3,13H2,(H,16,17).
What are the key properties of 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid?
2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid has a molecular weight of 241.20 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3-cyano-2-(difluoromethyl)-4-pyridinyl]acetic acid is sourced from PubChem (CID 133107162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).