2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine

C16H17N3O7 — CID 174947436

IUPAC2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H9N3.C6H8O7/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8H,(H,11,12,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRRVDHWKBLOAGIC-UHFFFAOYSA-N
MW363.33 g/mol
LogP0.97
Rot. Bonds7

About 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine

2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine (PubChem CID 174947436) has the molecular formula C16H17N3O7 and a molecular weight of 363.33 g/mol. Its IUPAC name is 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine
PubChem CID174947436
Molecular FormulaC16H17N3O7
Molecular Weight363.33 g/mol
Exact Mass363.11
IUPAC Name2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Nc2ccccn2)nc1
InChIInChI=1S/C10H9N3.C6H8O7/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8H,(H,11,12,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyRRVDHWKBLOAGIC-UHFFFAOYSA-N
XLogP0.97
TPSA169.94 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

CID 144955277
CID 144955277
N-pyridin-2-ylpyridin-2-amine;hydrochloride
CID 517616
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;3-hydroxypyridine-2-carboxylic acid
CID 173012989
copper;oxalate;N-pyridin-2-ylpyridin-2-amine;dihydrate
CID 139059840
bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 172800444
2-hydroxypropane-1,2,3-tricarboxylic acid;methanol
CID 87382706
2-hydroxypropane-1,2,3-tricarboxylic acid;lanthanum(3+);trichloride
CID 161178023
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
tris(amino 3-hydroxypyridine-2-carboxylate);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 173012990
benzonitrile;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 161357104
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine (CID 174947436) is 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine is O=C(O)CC(O)(CC(=O)O)C(=O)O.c1ccc(Nc2ccccn2)nc1.
What is the InChIKey of 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine?
The InChIKey is RRVDHWKBLOAGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.C6H8O7/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8H,(H,11,12,13);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine?
2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine has a molecular weight of 363.33 g/mol, XLogP of 0.97, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1,2,3-tricarboxylic acid;N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 174947436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).