2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid

C8H9F2N3O2 — CID 119021570

IUPAC2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1c(C(F)F)cnc(N)c1C(=O)O
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-2-13-7(12)5(8(14)15)3(4)1-11/h2,6H,1,11H2,(H2,12,13)(H,14,15)
InChIKeyWFAHKAXERSLTTE-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid

2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid (PubChem CID 119021570) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
PubChem CID119021570
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC Name2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
SMILESNCc1c(C(F)F)cnc(N)c1C(=O)O
InChIInChI=1S/C8H9F2N3O2/c9-6(10)4-2-13-7(12)5(8(14)15)3(4)1-11/h2,6H,1,11H2,(H2,12,13)(H,14,15)
InChIKeyWFAHKAXERSLTTE-UHFFFAOYSA-N
XLogP0.76
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridin-3-ol
CID 118997020
4-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118812999
3-(aminomethyl)-2-chloro-5-(difluoromethyl)pyridine-4-carboxylic acid
CID 130075064
4-(aminomethyl)-5-(difluoromethyl)-3-iodopyridine-2-carboxylic acid
CID 118823555
2-(aminomethyl)-5-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 133085035
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
3-(aminomethyl)-2-(difluoromethyl)-5-hydroxypyridine-4-carboxylic acid
CID 133102626
2-[2-amino-5-(difluoromethyl)-3-methoxy-4-pyridinyl]acetic acid
CID 118996845
2-amino-3-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 119001693
2-amino-4-(difluoromethyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118990891
2-[4-(aminomethyl)-5-(difluoromethyl)-3-hydroxy-2-pyridinyl]acetic acid
CID 118806631

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid (CID 119021570) is 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid is NCc1c(C(F)F)cnc(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is WFAHKAXERSLTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c9-6(10)4-2-13-7(12)5(8(14)15)3(4)1-11/h2,6H,1,11H2,(H2,12,13)(H,14,15).
What are the key properties of 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid?
2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 217.18 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(aminomethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 119021570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).