9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine

C14H10ClN3O4 — CID 144939722

IUPAC9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine
SMILESCC1CC=c2nc3cc([N+](=O)[O-])ccc3c(Cl)c2=C1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O4/c1-7-2-5-10-12(14(7)18(21)22)13(15)9-4-3-8(17(19)20)6-11(9)16-10/h3-7H,2H2,1H3
InChIKeyHEGZCBYOXVZVAZ-UHFFFAOYSA-N
MW319.70 g/mol
LogP2.00
Rot. Bonds2

About 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine

9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine (PubChem CID 144939722) has the molecular formula C14H10ClN3O4 and a molecular weight of 319.70 g/mol. Its IUPAC name is 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine.

Molecular Properties

Compound Name9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine
PubChem CID144939722
Molecular FormulaC14H10ClN3O4
Molecular Weight319.70 g/mol
Exact Mass319.04
IUPAC Name9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine
SMILESCC1CC=c2nc3cc([N+](=O)[O-])ccc3c(Cl)c2=C1[N+](=O)[O-]
InChIInChI=1S/C14H10ClN3O4/c1-7-2-5-10-12(14(7)18(21)22)13(15)9-4-3-8(17(19)20)6-11(9)16-10/h3-7H,2H2,1H3
InChIKeyHEGZCBYOXVZVAZ-UHFFFAOYSA-N
XLogP2.00
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.70
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 124927414
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2,4-dichloro-7-nitroquinazoline
CID 12703362
4-chloro-7-nitro-2-propylquinazoline
CID 106584339
3,6-dinitroacridine-9-carbonitrile
CID 118429042
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
9-chloro-4-iodo-2-isocyano-6-nitroacridine
CID 140768426
3-methyl-8-nitro-2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
CID 13011510
1-chloro-6-nitronaphthalene
CID 25003184
3-(4-chlorophenyl)-7-nitro-2-propan-2-ylquinazolin-4-one;ethane
CID 143481243
1,4-dichloro-6-nitrophthalazine
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3-nitroacridin-9-amine
CID 26592

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine?
The IUPAC name of 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine (CID 144939722) is 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine.
What is the SMILES notation for 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine?
The canonical SMILES for 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine is CC1CC=c2nc3cc([N+](=O)[O-])ccc3c(Cl)c2=C1[N+](=O)[O-].
What is the InChIKey of 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine?
The InChIKey is HEGZCBYOXVZVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4/c1-7-2-5-10-12(14(7)18(21)22)13(15)9-4-3-8(17(19)20)6-11(9)16-10/h3-7H,2H2,1H3.
What are the key properties of 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine?
9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine has a molecular weight of 319.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methyl-1,6-dinitro-2,3-dihydroacridine is sourced from PubChem (CID 144939722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).