6H-phenanthridine-5-carbonyl chloride

C14H10ClNO — CID 86183224

IUPAC6H-phenanthridine-5-carbonyl chloride
SMILESO=C(Cl)N1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C14H10ClNO/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2
InChIKeyYHYCREOHKQMETL-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.03
Rot. Bonds

About 6H-phenanthridine-5-carbonyl chloride

6H-phenanthridine-5-carbonyl chloride (PubChem CID 86183224) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 6H-phenanthridine-5-carbonyl chloride.

Molecular Properties

Compound Name6H-phenanthridine-5-carbonyl chloride
PubChem CID86183224
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name6H-phenanthridine-5-carbonyl chloride
SMILESO=C(Cl)N1Cc2ccccc2-c2ccccc21
InChIInChI=1S/C14H10ClNO/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2
InChIKeyYHYCREOHKQMETL-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 6H-phenanthridine-5-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-6H-phenanthridine
CID 89177701
3-oxo-1H-isoindole-2-carboxylic acid;hydrochloride
CID 70554924
2-chloro-4-(6H-phenanthridine-5-carbonyl)-N-phenylbenzamide
CID 70059578
9H-acridine-10-carbonyl chloride
CID 165358723
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
2-methyl-5H-pyrazolo[1,5-a]quinazoline-4-carbonyl chloride
CID 20659937
3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carbonyl chloride
CID 15341021
2,4-dichloro-N-[4-(6H-phenanthridine-5-carbonyl)phenyl]benzamide
CID 70059373
6-(3-chlorobenzoyl)-7H-benzo[d][2]benzazepin-5-one
CID 15656913
1-[(11Z)-12-amino-11-[amino(methyl)amino]-6H-benzo[c][1]benzazocin-5-yl]ethanone
CID 145302097
1-acetyl-2H-indol-3-one
CID 538819
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501

Frequently Asked Questions

What is the IUPAC name of 6H-phenanthridine-5-carbonyl chloride?
The IUPAC name of 6H-phenanthridine-5-carbonyl chloride (CID 86183224) is 6H-phenanthridine-5-carbonyl chloride.
What is the SMILES notation for 6H-phenanthridine-5-carbonyl chloride?
The canonical SMILES for 6H-phenanthridine-5-carbonyl chloride is O=C(Cl)N1Cc2ccccc2-c2ccccc21.
What is the InChIKey of 6H-phenanthridine-5-carbonyl chloride?
The InChIKey is YHYCREOHKQMETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-14(17)16-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)16/h1-8H,9H2.
What are the key properties of 6H-phenanthridine-5-carbonyl chloride?
6H-phenanthridine-5-carbonyl chloride has a molecular weight of 243.69 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-phenanthridine-5-carbonyl chloride is sourced from PubChem (CID 86183224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).