azane;imidazol-1-yl pyridine-3-carboxylate

C9H10N4O2 — CID 175403064

IUPACazane;imidazol-1-yl pyridine-3-carboxylate
SMILESN.O=C(On1ccnc1)c1cccnc1
InChIInChI=1S/C9H7N3O2.H3N/c13-9(8-2-1-3-10-6-8)14-12-5-4-11-7-12;/h1-7H;1H3
InChIKeyAATQPSFDGRIQKI-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.71
Rot. Bonds2

About azane;imidazol-1-yl pyridine-3-carboxylate

azane;imidazol-1-yl pyridine-3-carboxylate (PubChem CID 175403064) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is azane;imidazol-1-yl pyridine-3-carboxylate.

Molecular Properties

Compound Nameazane;imidazol-1-yl pyridine-3-carboxylate
PubChem CID175403064
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Nameazane;imidazol-1-yl pyridine-3-carboxylate
SMILESN.O=C(On1ccnc1)c1cccnc1
InChIInChI=1S/C9H7N3O2.H3N/c13-9(8-2-1-3-10-6-8)14-12-5-4-11-7-12;/h1-7H;1H3
InChIKeyAATQPSFDGRIQKI-UHFFFAOYSA-N
XLogP0.71
TPSA92.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pyrrol-1-yl pyridine-3-carboxylate;hydrochloride
CID 174946460
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
(2,5-dioxopyrrolidin-1-yl) (2,3,4,5,6-13C5)pyridine-3-carboxylate
CID 71308877
(111C)methyl pyridine-3-carboxylate
CID 11309537
2-imidazol-1-yl-1-pyridin-3-ylethanone
CID 70494424
pyridine-3-carbonyl pyrimidine-5-carboxylate
CID 144515193
ethyl pyridine-3-carboperoxoate
CID 143721352
hydrazinyl pyridine-3-carboxylate
CID 22603598
CID 22254315
CID 22254315
methylsulfanyl pyridine-3-carboxylate
CID 143338769
N-amino-N-hydroxypyridine-3-carboxamide
CID 54392890
N-(imidazol-1-ylmethyl)pyridine-3-carboxamide
CID 86179423

Frequently Asked Questions

What is the IUPAC name of azane;imidazol-1-yl pyridine-3-carboxylate?
The IUPAC name of azane;imidazol-1-yl pyridine-3-carboxylate (CID 175403064) is azane;imidazol-1-yl pyridine-3-carboxylate.
What is the SMILES notation for azane;imidazol-1-yl pyridine-3-carboxylate?
The canonical SMILES for azane;imidazol-1-yl pyridine-3-carboxylate is N.O=C(On1ccnc1)c1cccnc1.
What is the InChIKey of azane;imidazol-1-yl pyridine-3-carboxylate?
The InChIKey is AATQPSFDGRIQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2.H3N/c13-9(8-2-1-3-10-6-8)14-12-5-4-11-7-12;/h1-7H;1H3.
What are the key properties of azane;imidazol-1-yl pyridine-3-carboxylate?
azane;imidazol-1-yl pyridine-3-carboxylate has a molecular weight of 206.21 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;imidazol-1-yl pyridine-3-carboxylate is sourced from PubChem (CID 175403064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).