2-chloro-10-nitrophenanthridine-6-carbaldehyde

C14H7ClN2O3 — CID 174429205

IUPAC2-chloro-10-nitrophenanthridine-6-carbaldehyde
SMILESO=Cc1nc2ccc(Cl)cc2c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H7ClN2O3/c15-8-4-5-11-10(6-8)14-9(12(7-18)16-11)2-1-3-13(14)17(19)20/h1-7H
InChIKeyKBSNJGKSSWOKFG-UHFFFAOYSA-N
MW286.67 g/mol
LogP3.76
Rot. Bonds2

About 2-chloro-10-nitrophenanthridine-6-carbaldehyde

2-chloro-10-nitrophenanthridine-6-carbaldehyde (PubChem CID 174429205) has the molecular formula C14H7ClN2O3 and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-chloro-10-nitrophenanthridine-6-carbaldehyde.

Molecular Properties

Compound Name2-chloro-10-nitrophenanthridine-6-carbaldehyde
PubChem CID174429205
Molecular FormulaC14H7ClN2O3
Molecular Weight286.67 g/mol
Exact Mass286.01
IUPAC Name2-chloro-10-nitrophenanthridine-6-carbaldehyde
SMILESO=Cc1nc2ccc(Cl)cc2c2c([N+](=O)[O-])cccc12
InChIInChI=1S/C14H7ClN2O3/c15-8-4-5-11-10(6-8)14-9(12(7-18)16-11)2-1-3-13(14)17(19)20/h1-7H
InChIKeyKBSNJGKSSWOKFG-UHFFFAOYSA-N
XLogP3.76
TPSA73.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(2-chloro-6-nitrophenoxy)benzaldehyde
CID 107717215
1,5,9-trinitrotriphenylene
CID 86227277
6-chloro-4-(2-fluorophenyl)-2-(2-nitrophenyl)quinoline;hydrochloride
CID 75401799
2-(2,4-dichlorophenyl)-4-nitroquinoline
CID 101421541
9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole
CID 71723445
6-chloro-2-(5-chloro-2-nitrophenyl)pyridine-3-carbaldehyde
CID 134238267
6-chloro-2-(4-methyl-3-nitrophenyl)-4-phenylquinoline
CID 8965952
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
2-[(E)-2-chloroethenyl]-4-nitroquinoline
CID 19035003
6-chloro-3-nitro-1H-quinolin-4-one;4,6-dichloro-3-nitroquinoline
CID 158162895
2-bromo-6-chloro-3-nitro-4-(trifluoromethyl)quinoline
CID 22595770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-nitrophenanthridine-6-carbaldehyde?
The IUPAC name of 2-chloro-10-nitrophenanthridine-6-carbaldehyde (CID 174429205) is 2-chloro-10-nitrophenanthridine-6-carbaldehyde.
What is the SMILES notation for 2-chloro-10-nitrophenanthridine-6-carbaldehyde?
The canonical SMILES for 2-chloro-10-nitrophenanthridine-6-carbaldehyde is O=Cc1nc2ccc(Cl)cc2c2c([N+](=O)[O-])cccc12.
What is the InChIKey of 2-chloro-10-nitrophenanthridine-6-carbaldehyde?
The InChIKey is KBSNJGKSSWOKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O3/c15-8-4-5-11-10(6-8)14-9(12(7-18)16-11)2-1-3-13(14)17(19)20/h1-7H.
What are the key properties of 2-chloro-10-nitrophenanthridine-6-carbaldehyde?
2-chloro-10-nitrophenanthridine-6-carbaldehyde has a molecular weight of 286.67 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-nitrophenanthridine-6-carbaldehyde is sourced from PubChem (CID 174429205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).