4-chloro-6-methyl-3-nitro-1,7-naphthyridine

C9H6ClN3O2 — CID 167583843

IUPAC4-chloro-6-methyl-3-nitro-1,7-naphthyridine
SMILESCc1cc2c(Cl)c([N+](=O)[O-])cnc2cn1
InChIInChI=1S/C9H6ClN3O2/c1-5-2-6-7(3-11-5)12-4-8(9(6)10)13(14)15/h2-4H,1H3
InChIKeyUCKOMSWHPLGMPS-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.50
Rot. Bonds1

About 4-chloro-6-methyl-3-nitro-1,7-naphthyridine

4-chloro-6-methyl-3-nitro-1,7-naphthyridine (PubChem CID 167583843) has the molecular formula C9H6ClN3O2 and a molecular weight of 223.62 g/mol. Its IUPAC name is 4-chloro-6-methyl-3-nitro-1,7-naphthyridine.

Molecular Properties

Compound Name4-chloro-6-methyl-3-nitro-1,7-naphthyridine
PubChem CID167583843
Molecular FormulaC9H6ClN3O2
Molecular Weight223.62 g/mol
Exact Mass223.01
IUPAC Name4-chloro-6-methyl-3-nitro-1,7-naphthyridine
SMILESCc1cc2c(Cl)c([N+](=O)[O-])cnc2cn1
InChIInChI=1S/C9H6ClN3O2/c1-5-2-6-7(3-11-5)12-4-8(9(6)10)13(14)15/h2-4H,1H3
InChIKeyUCKOMSWHPLGMPS-UHFFFAOYSA-N
XLogP2.50
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.50
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

4-chloro-3-nitroquinoline;ethane
CID 90799881
8-chloro-7-nitro-[1,3]dioxolo[4,5-g]quinoline
CID 102613983
4-chloro-6-ethoxy-3-nitroquinoline
CID 102614031
methyl 4-chloro-7-methoxy-3-nitroquinoline-6-carboxylate
CID 169128533
(2-methyl-5-nitro-4-pyridinyl)phosphane
CID 143256798
4-chloro-8-methyl-3-nitro-1,7-naphthyridine
CID 103416471
N,N,2-trimethyl-5-nitropyridin-4-amine
CID 70227740
4,5,7-trichloro-6-fluoro-3-nitroquinoline
CID 107577340
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
6-chloro-3-nitro-1H-quinolin-4-one;4,6-dichloro-3-nitroquinoline
CID 158162895
N,3-dimethyl-8-nitroisoquinolin-5-amine
CID 102714194
2-chloro-5-methyl-3-nitropyridine
CID 139082293

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-3-nitro-1,7-naphthyridine?
The IUPAC name of 4-chloro-6-methyl-3-nitro-1,7-naphthyridine (CID 167583843) is 4-chloro-6-methyl-3-nitro-1,7-naphthyridine.
What is the SMILES notation for 4-chloro-6-methyl-3-nitro-1,7-naphthyridine?
The canonical SMILES for 4-chloro-6-methyl-3-nitro-1,7-naphthyridine is Cc1cc2c(Cl)c([N+](=O)[O-])cnc2cn1.
What is the InChIKey of 4-chloro-6-methyl-3-nitro-1,7-naphthyridine?
The InChIKey is UCKOMSWHPLGMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O2/c1-5-2-6-7(3-11-5)12-4-8(9(6)10)13(14)15/h2-4H,1H3.
What are the key properties of 4-chloro-6-methyl-3-nitro-1,7-naphthyridine?
4-chloro-6-methyl-3-nitro-1,7-naphthyridine has a molecular weight of 223.62 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-3-nitro-1,7-naphthyridine is sourced from PubChem (CID 167583843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).