2-chloro-3-methyl-8-nitroquinoline

C10H7ClN2O2 — CID 86241531

IUPAC2-chloro-3-methyl-8-nitroquinoline
SMILESCc1cc2cccc([N+](=O)[O-])c2nc1Cl
InChIInChI=1S/C10H7ClN2O2/c1-6-5-7-3-2-4-8(13(14)15)9(7)12-10(6)11/h2-5H,1H3
InChIKeyNJYZWPGYJQVFDJ-UHFFFAOYSA-N
MW222.63 g/mol
LogP3.10
Rot. Bonds1

About 2-chloro-3-methyl-8-nitroquinoline

2-chloro-3-methyl-8-nitroquinoline (PubChem CID 86241531) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-chloro-3-methyl-8-nitroquinoline.

Molecular Properties

Compound Name2-chloro-3-methyl-8-nitroquinoline
PubChem CID86241531
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name2-chloro-3-methyl-8-nitroquinoline
SMILESCc1cc2cccc([N+](=O)[O-])c2nc1Cl
InChIInChI=1S/C10H7ClN2O2/c1-6-5-7-3-2-4-8(13(14)15)9(7)12-10(6)11/h2-5H,1H3
InChIKeyNJYZWPGYJQVFDJ-UHFFFAOYSA-N
XLogP3.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-chloro-8-nitroquinoline-3-carboxylate
CID 86241543
2-(2-methyl-8-nitroquinolin-3-yl)acetic acid
CID 164563339
2,4-dimethyl-8-nitroquinoline
CID 608736
3-ethyl-8-nitroquinoline
CID 119082070
2-chloro-8-methyl-3-(2-nitroethenyl)quinoline
CID 53396799
2-chloro-8-methyl-3-[(E)-2-nitroprop-1-enyl]quinoline
CID 55016872
3-butyl-8-nitroquinolin-2-amine
CID 67057977
3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
CID 67313867
1-chloro-2-methyl-3-nitrobenzene
CID 6740
5-nitroacridine-1-carboxylic acid
CID 141387922
4-chloro-2-methoxy-5-methyl-8-nitroquinoline
CID 67077345
2,7,8-trichloro-3-methylquinoline
CID 63232184

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-8-nitroquinoline?
The IUPAC name of 2-chloro-3-methyl-8-nitroquinoline (CID 86241531) is 2-chloro-3-methyl-8-nitroquinoline.
What is the SMILES notation for 2-chloro-3-methyl-8-nitroquinoline?
The canonical SMILES for 2-chloro-3-methyl-8-nitroquinoline is Cc1cc2cccc([N+](=O)[O-])c2nc1Cl.
What is the InChIKey of 2-chloro-3-methyl-8-nitroquinoline?
The InChIKey is NJYZWPGYJQVFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c1-6-5-7-3-2-4-8(13(14)15)9(7)12-10(6)11/h2-5H,1H3.
What are the key properties of 2-chloro-3-methyl-8-nitroquinoline?
2-chloro-3-methyl-8-nitroquinoline has a molecular weight of 222.63 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-8-nitroquinoline is sourced from PubChem (CID 86241531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).