6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid

C13H13N3O2 — CID 82556225

IUPAC6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
SMILESNCc1cccc(-c2ccc(C(=O)O)nc2N)c1
InChIInChI=1S/C13H13N3O2/c14-7-8-2-1-3-9(6-8)10-4-5-11(13(17)18)16-12(10)15/h1-6H,7,14H2,(H2,15,16)(H,17,18)
InChIKeyJAXDJJPDMJVAJR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.49
Rot. Bonds3

About 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid

6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid (PubChem CID 82556225) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
PubChem CID82556225
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid
SMILESNCc1cccc(-c2ccc(C(=O)O)nc2N)c1
InChIInChI=1S/C13H13N3O2/c14-7-8-2-1-3-9(6-8)10-4-5-11(13(17)18)16-12(10)15/h1-6H,7,14H2,(H2,15,16)(H,17,18)
InChIKeyJAXDJJPDMJVAJR-UHFFFAOYSA-N
XLogP1.49
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-(3-carboxyphenyl)pyridine-2-carboxylic acid
CID 82556241
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
2-amino-5-[3-(aminomethyl)phenyl]pyridine-3-carboxylic acid
CID 82556129
5-[3-(aminomethyl)phenyl]-3-ethylquinolin-2-amine
CID 126656197
3-[3-(aminomethyl)phenyl]benzoic acid;hydrochloride
CID 138038044
5-[3-(aminomethyl)phenyl]-1,2-oxazole-4-carboxylic acid
CID 150308140
2-[2-[3-(aminomethyl)phenyl]phenyl]aniline
CID 174455966
6-amino-5-(2,3,5-trichlorophenyl)pyridine-2-carboxylic acid
CID 68680448
4-amino-2-[3-(aminomethyl)phenyl]phenol;hydrochloride
CID 23514550
propyl 4-[3-amino-2-[3-(aminomethyl)phenyl]-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate
CID 163434059
2-[3-(2-amino-5-methyl-3-pyridinyl)phenyl]acetic acid
CID 155500382
6-amino-5-(5-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 82556214

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid (CID 82556225) is 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid is NCc1cccc(-c2ccc(C(=O)O)nc2N)c1.
What is the InChIKey of 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
The InChIKey is JAXDJJPDMJVAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c14-7-8-2-1-3-9(6-8)10-4-5-11(13(17)18)16-12(10)15/h1-6H,7,14H2,(H2,15,16)(H,17,18).
What are the key properties of 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid?
6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid has a molecular weight of 243.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[3-(aminomethyl)phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 82556225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).