5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide

C14H15ClN4O3 — CID 59830433

IUPAC5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C14H15ClN4O3/c15-12-6-9-5-10(17-11(9)7-16-12)14(21)19-18-13(20)8-1-3-22-4-2-8/h5-8,17H,1-4H2,(H,18,20)(H,19,21)
InChIKeyQFCVQPISXYFZMW-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.40
Rot. Bonds2

About 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide

5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide (PubChem CID 59830433) has the molecular formula C14H15ClN4O3 and a molecular weight of 322.75 g/mol. Its IUPAC name is 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide
PubChem CID59830433
Molecular FormulaC14H15ClN4O3
Molecular Weight322.75 g/mol
Exact Mass322.08
IUPAC Name5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ncc2[nH]1
InChIInChI=1S/C14H15ClN4O3/c15-12-6-9-5-10(17-11(9)7-16-12)14(21)19-18-13(20)8-1-3-22-4-2-8/h5-8,17H,1-4H2,(H,18,20)(H,19,21)
InChIKeyQFCVQPISXYFZMW-UHFFFAOYSA-N
XLogP1.40
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide?
The IUPAC name of 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide (CID 59830433) is 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide.
What is the SMILES notation for 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide?
The canonical SMILES for 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide is O=C(NNC(=O)C1CCOCC1)c1cc2cc(Cl)ncc2[nH]1.
What is the InChIKey of 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide?
The InChIKey is QFCVQPISXYFZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3/c15-12-6-9-5-10(17-11(9)7-16-12)14(21)19-18-13(20)8-1-3-22-4-2-8/h5-8,17H,1-4H2,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide?
5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide has a molecular weight of 322.75 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(oxane-4-carbonyl)-1H-pyrrolo[2,3-c]pyridine-2-carbohydrazide is sourced from PubChem (CID 59830433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).