9H-acridine-10-carbonyl chloride

C14H10ClNO — CID 165358723

IUPAC9H-acridine-10-carbonyl chloride
SMILESO=C(Cl)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10ClNO/c15-14(17)16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyBGQAOLJABIFQPK-UHFFFAOYSA-N
MW243.69 g/mol
LogP4.09
Rot. Bonds

About 9H-acridine-10-carbonyl chloride

9H-acridine-10-carbonyl chloride (PubChem CID 165358723) has the molecular formula C14H10ClNO and a molecular weight of 243.69 g/mol. Its IUPAC name is 9H-acridine-10-carbonyl chloride.

Molecular Properties

Compound Name9H-acridine-10-carbonyl chloride
PubChem CID165358723
Molecular FormulaC14H10ClNO
Molecular Weight243.69 g/mol
Exact Mass243.05
IUPAC Name9H-acridine-10-carbonyl chloride
SMILESO=C(Cl)N1c2ccccc2Cc2ccccc21
InChIInChI=1S/C14H10ClNO/c15-14(17)16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2
InChIKeyBGQAOLJABIFQPK-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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'}

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Related Compounds

1-(2,2-dichloroacetyl)-3H-indol-2-one
CID 11791397
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
3-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 606961
(2R,4R)-3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carbonyl chloride
CID 92860598
(2S,4R)-3-oxa-11-azatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene-11-carbonyl chloride
CID 92860597
1-hydroxy-4H-quinoline-3-carboxylic acid
CID 140989260
6H-phenanthridine-5-carbonyl chloride
CID 86183224
9H-acridin-10-ylmethanol
CID 23521289
ethane;5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide
CID 143893495
phenyl 2-oxo-3H-indole-1-carboxylate
CID 15469893
(2R)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763093
(2S)-2-chloro-1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-one
CID 763090

Frequently Asked Questions

What is the IUPAC name of 9H-acridine-10-carbonyl chloride?
The IUPAC name of 9H-acridine-10-carbonyl chloride (CID 165358723) is 9H-acridine-10-carbonyl chloride.
What is the SMILES notation for 9H-acridine-10-carbonyl chloride?
The canonical SMILES for 9H-acridine-10-carbonyl chloride is O=C(Cl)N1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9H-acridine-10-carbonyl chloride?
The InChIKey is BGQAOLJABIFQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO/c15-14(17)16-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)16/h1-8H,9H2.
What are the key properties of 9H-acridine-10-carbonyl chloride?
9H-acridine-10-carbonyl chloride has a molecular weight of 243.69 g/mol, XLogP of 4.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-acridine-10-carbonyl chloride is sourced from PubChem (CID 165358723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).