azane;pyridine-3-carbonyl pyridine-3-carboxylate

C12H11N3O3 — CID 174932870

IUPACazane;pyridine-3-carbonyl pyridine-3-carboxylate
SMILESN.O=C(OC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C12H8N2O3.H3N/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10;/h1-8H;1H3
InChIKeyALMMTCQZRYZNON-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.64
Rot. Bonds2

About azane;pyridine-3-carbonyl pyridine-3-carboxylate

azane;pyridine-3-carbonyl pyridine-3-carboxylate (PubChem CID 174932870) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is azane;pyridine-3-carbonyl pyridine-3-carboxylate.

Molecular Properties

Compound Nameazane;pyridine-3-carbonyl pyridine-3-carboxylate
PubChem CID174932870
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Nameazane;pyridine-3-carbonyl pyridine-3-carboxylate
SMILESN.O=C(OC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C12H8N2O3.H3N/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10;/h1-8H;1H3
InChIKeyALMMTCQZRYZNON-UHFFFAOYSA-N
XLogP1.64
TPSA104.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193
hydroxycarbamoyl pyridine-3-carboxylate
CID 91185669
(111C)methyl pyridine-3-carboxylate
CID 11309537
hydrazinyl pyridine-3-carboxylate
CID 22603598
CID 22254315
CID 22254315
methylsulfanyl pyridine-3-carboxylate
CID 143338769
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
pent-4-enoyl pyridine-3-carboxylate
CID 175164052
[4-(pyridine-3-carbonyloxymethyl)phenyl]methyl pyridine-3-carboxylate
CID 9413213
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674

Frequently Asked Questions

What is the IUPAC name of azane;pyridine-3-carbonyl pyridine-3-carboxylate?
The IUPAC name of azane;pyridine-3-carbonyl pyridine-3-carboxylate (CID 174932870) is azane;pyridine-3-carbonyl pyridine-3-carboxylate.
What is the SMILES notation for azane;pyridine-3-carbonyl pyridine-3-carboxylate?
The canonical SMILES for azane;pyridine-3-carbonyl pyridine-3-carboxylate is N.O=C(OC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of azane;pyridine-3-carbonyl pyridine-3-carboxylate?
The InChIKey is ALMMTCQZRYZNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O3.H3N/c15-11(9-3-1-5-13-7-9)17-12(16)10-4-2-6-14-8-10;/h1-8H;1H3.
What are the key properties of azane;pyridine-3-carbonyl pyridine-3-carboxylate?
azane;pyridine-3-carbonyl pyridine-3-carboxylate has a molecular weight of 245.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;pyridine-3-carbonyl pyridine-3-carboxylate is sourced from PubChem (CID 174932870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).