6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide

C15H12ClFN4O2 — CID 118064540

IUPAC6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide
SMILESCOc1ncc(NNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C15H12ClFN4O2/c1-23-15-11(17)6-10(7-18-15)20-21-14(22)13-4-8-2-3-9(16)5-12(8)19-13/h2-7,19-20H,1H3,(H,21,22)
InChIKeyRURQHLUQKSWLKH-UHFFFAOYSA-N
MW334.74 g/mol
LogP3.12
Rot. Bonds4

About 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide

6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide (PubChem CID 118064540) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide.

Molecular Properties

Compound Name6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide
PubChem CID118064540
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide
SMILESCOc1ncc(NNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1F
InChIInChI=1S/C15H12ClFN4O2/c1-23-15-11(17)6-10(7-18-15)20-21-14(22)13-4-8-2-3-9(16)5-12(8)19-13/h2-7,19-20H,1H3,(H,21,22)
InChIKeyRURQHLUQKSWLKH-UHFFFAOYSA-N
XLogP3.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide?
The IUPAC name of 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide (CID 118064540) is 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide.
What is the SMILES notation for 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide?
The canonical SMILES for 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide is COc1ncc(NNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1F.
What is the InChIKey of 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide?
The InChIKey is RURQHLUQKSWLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-23-15-11(17)6-10(7-18-15)20-21-14(22)13-4-8-2-3-9(16)5-12(8)19-13/h2-7,19-20H,1H3,(H,21,22).
What are the key properties of 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide?
6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide has a molecular weight of 334.74 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N'-(5-fluoro-6-methoxy-3-pyridinyl)-1H-indole-2-carbohydrazide is sourced from PubChem (CID 118064540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).