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

C9H10F2N2O3 — CID 118806631

IUPAC2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESNCc1c(C(F)F)cnc(CC(=O)O)c1O
InChIInChI=1S/C9H10F2N2O3/c10-9(11)5-3-13-6(1-7(14)15)8(16)4(5)2-12/h3,9,16H,1-2,12H2,(H,14,15)
InChIKeyHWAGJELOKHVNPY-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.81
Rot. Bonds4

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

2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid (PubChem CID 118806631) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
PubChem CID118806631
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Name2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
SMILESNCc1c(C(F)F)cnc(CC(=O)O)c1O
InChIInChI=1S/C9H10F2N2O3/c10-9(11)5-3-13-6(1-7(14)15)8(16)4(5)2-12/h3,9,16H,1-2,12H2,(H,14,15)
InChIKeyHWAGJELOKHVNPY-UHFFFAOYSA-N
XLogP0.81
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)-4-bromo-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134667546
2-[4-(aminomethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 118846731
2-[2-(aminomethyl)-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118848134
2-[5-amino-3-(aminomethyl)-4-(difluoromethyl)-2-pyridinyl]acetic acid
CID 134684591
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020
4-(aminomethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbaldehyde
CID 118812276
2-[4-(aminomethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetic acid
CID 133085256
2-[4-(chloromethyl)-5-(difluoromethyl)-3-methoxy-2-pyridinyl]acetic acid
CID 133099810
2-[5-(difluoromethyl)-4-iodo-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 133100098
2-[3-chloro-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 130074461
2-[3-bromo-4-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108367
2-[4-bromo-3-chloro-5-(difluoromethyl)-2-pyridinyl]acetic acid
CID 130108379

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The IUPAC name of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid (CID 118806631) is 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid is NCc1c(C(F)F)cnc(CC(=O)O)c1O.
What is the InChIKey of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
The InChIKey is HWAGJELOKHVNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c10-9(11)5-3-13-6(1-7(14)15)8(16)4(5)2-12/h3,9,16H,1-2,12H2,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid?
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid has a molecular weight of 232.19 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid is sourced from PubChem (CID 118806631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).