(2-chloro-6-nitroquinolin-3-yl) formate

C10H5ClN2O4 — CID 174977503

IUPAC(2-chloro-6-nitroquinolin-3-yl) formate
SMILESO=COc1cc2cc([N+](=O)[O-])ccc2nc1Cl
InChIInChI=1S/C10H5ClN2O4/c11-10-9(17-5-14)4-6-3-7(13(15)16)1-2-8(6)12-10/h1-5H
InChIKeyPJPVTRRMDQRRNQ-UHFFFAOYSA-N
MW252.61 g/mol
LogP2.33
Rot. Bonds3

About (2-chloro-6-nitroquinolin-3-yl) formate

(2-chloro-6-nitroquinolin-3-yl) formate (PubChem CID 174977503) has the molecular formula C10H5ClN2O4 and a molecular weight of 252.61 g/mol. Its IUPAC name is (2-chloro-6-nitroquinolin-3-yl) formate.

Molecular Properties

Compound Name(2-chloro-6-nitroquinolin-3-yl) formate
PubChem CID174977503
Molecular FormulaC10H5ClN2O4
Molecular Weight252.61 g/mol
Exact Mass251.99
IUPAC Name(2-chloro-6-nitroquinolin-3-yl) formate
SMILESO=COc1cc2cc([N+](=O)[O-])ccc2nc1Cl
InChIInChI=1S/C10H5ClN2O4/c11-10-9(17-5-14)4-6-3-7(13(15)16)1-2-8(6)12-10/h1-5H
InChIKeyPJPVTRRMDQRRNQ-UHFFFAOYSA-N
XLogP2.33
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.61
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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

(2-amino-5-nitrophenyl) formate
CID 174961897
2-chloro-3-(3-chloropropyl)-6-nitroquinoline
CID 71399899
2,4-dichloro-6-nitro-3-propan-2-ylquinoline
CID 86067568
2,4-dichloro-6-nitroquinazoline
CID 12703366
chloromethane;(4-nitrophenyl) formate
CID 143083318
2-methoxy-4-nitrobenzaldehyde
CID 2759599
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
2,4-dichloro-7-nitroquinazoline
CID 12703362
(2-formyl-4-nitrophenyl) 2-methylbenzoate
CID 4922391
2-(2-methylpropoxy)-6-nitroquinoline
CID 155587922
(2-chloro-4-nitrophenyl) acetate
CID 14345185
4-chloro-2-(2-chloro-5-nitrophenoxy)-1,3-thiazole-5-carbaldehyde
CID 80687724

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-nitroquinolin-3-yl) formate?
The IUPAC name of (2-chloro-6-nitroquinolin-3-yl) formate (CID 174977503) is (2-chloro-6-nitroquinolin-3-yl) formate.
What is the SMILES notation for (2-chloro-6-nitroquinolin-3-yl) formate?
The canonical SMILES for (2-chloro-6-nitroquinolin-3-yl) formate is O=COc1cc2cc([N+](=O)[O-])ccc2nc1Cl.
What is the InChIKey of (2-chloro-6-nitroquinolin-3-yl) formate?
The InChIKey is PJPVTRRMDQRRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClN2O4/c11-10-9(17-5-14)4-6-3-7(13(15)16)1-2-8(6)12-10/h1-5H.
What are the key properties of (2-chloro-6-nitroquinolin-3-yl) formate?
(2-chloro-6-nitroquinolin-3-yl) formate has a molecular weight of 252.61 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-nitroquinolin-3-yl) formate is sourced from PubChem (CID 174977503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).