4-chloro-5-methoxy-2-nitropyridine

C6H5ClN2O3 — CID 118850680

IUPAC4-chloro-5-methoxy-2-nitropyridine
SMILESCOc1cnc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN2O3/c1-12-5-3-8-6(9(10)11)2-4(5)7/h2-3H,1H3
InChIKeyRLYLMFWBTCFSTP-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.65
Rot. Bonds2

About 4-chloro-5-methoxy-2-nitropyridine

4-chloro-5-methoxy-2-nitropyridine (PubChem CID 118850680) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-nitropyridine.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-nitropyridine
PubChem CID118850680
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name4-chloro-5-methoxy-2-nitropyridine
SMILESCOc1cnc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN2O3/c1-12-5-3-8-6(9(10)11)2-4(5)7/h2-3H,1H3
InChIKeyRLYLMFWBTCFSTP-UHFFFAOYSA-N
XLogP1.65
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-chloro-4-methyl-2-nitropyridine
CID 77230639
5-bromo-4-chloro-2-nitropyridine
CID 118994717
ethyl 4-chloro-6-nitropyridine-3-carboxylate
CID 133097798
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
N-[(2-chloro-6-methoxyphenyl)methyl]-6-nitropyridin-3-amine
CID 103292899
1,3-dichloro-4-methoxy-2-nitrobenzene
CID 20513886
3-methoxy-2-nitro-5-(2,3,6-trichlorophenyl)pyridine
CID 133087496
1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
CID 71300245
3-chloro-2-methoxy-5-(3-nitropyrazol-1-yl)pyridine
CID 134589069
5-chloro-4-methoxy-2-nitrobenzoic acid
CID 21388739
1-bromo-4-chloro-2-methoxy-5-nitrobenzene
CID 126419830
4-bromo-5-(chloromethyl)-2-nitropyridine
CID 118827535

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-nitropyridine?
The IUPAC name of 4-chloro-5-methoxy-2-nitropyridine (CID 118850680) is 4-chloro-5-methoxy-2-nitropyridine.
What is the SMILES notation for 4-chloro-5-methoxy-2-nitropyridine?
The canonical SMILES for 4-chloro-5-methoxy-2-nitropyridine is COc1cnc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-nitropyridine?
The InChIKey is RLYLMFWBTCFSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c1-12-5-3-8-6(9(10)11)2-4(5)7/h2-3H,1H3.
What are the key properties of 4-chloro-5-methoxy-2-nitropyridine?
4-chloro-5-methoxy-2-nitropyridine has a molecular weight of 188.57 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-nitropyridine is sourced from PubChem (CID 118850680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).