6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid

C8H7F3N2O2 — CID 118814114

IUPAC6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESNCc1nc(C(=O)O)cc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O2/c9-3-1-4(8(14)15)13-5(2-12)6(3)7(10)11/h1,7H,2,12H2,(H,14,15)
InChIKeyPZMRAUPQCXOVNN-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.32
Rot. Bonds3

About 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid

6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (PubChem CID 118814114) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
PubChem CID118814114
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid
SMILESNCc1nc(C(=O)O)cc(F)c1C(F)F
InChIInChI=1S/C8H7F3N2O2/c9-3-1-4(8(14)15)13-5(2-12)6(3)7(10)11/h1,7H,2,12H2,(H,14,15)
InChIKeyPZMRAUPQCXOVNN-UHFFFAOYSA-N
XLogP1.32
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 118831095
2-[6-(aminomethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetic acid
CID 118853815
[3-(difluoromethyl)-4-fluoro-6-methoxy-2-pyridinyl]methanamine
CID 118848151
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130087202
2-[6-(aminomethyl)-5-(difluoromethyl)-4-methyl-2-pyridinyl]acetic acid
CID 133084251
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
4-bromo-5-(difluoromethyl)-6-fluoropyridine-2-carboxylic acid
CID 118806357
5-(aminomethyl)-6-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130086964
3-(difluoromethyl)-4,6-difluoropyridine-2-carboxylic acid
CID 118823505
6-bromo-5-(difluoromethyl)-4-fluoropyridine-2-carboxamide
CID 119015693
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]acetate
CID 133104669

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The IUPAC name of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid (CID 118814114) is 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is NCc1nc(C(=O)O)cc(F)c1C(F)F.
What is the InChIKey of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
The InChIKey is PZMRAUPQCXOVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-3-1-4(8(14)15)13-5(2-12)6(3)7(10)11/h1,7H,2,12H2,(H,14,15).
What are the key properties of 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid?
6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 118814114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).