2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine

C6H8ClN3O3 — CID 155675919

IUPAC2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine
SMILESCOC1=CC=C([N+](=O)[O-])C(N)(Cl)N1
InChIInChI=1S/C6H8ClN3O3/c1-13-5-3-2-4(10(11)12)6(7,8)9-5/h2-3,9H,8H2,1H3
InChIKeyQZACBWBIFGDQIA-UHFFFAOYSA-N
MW205.60 g/mol
LogP0.09
Rot. Bonds2

About 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine

2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine (PubChem CID 155675919) has the molecular formula C6H8ClN3O3 and a molecular weight of 205.60 g/mol. Its IUPAC name is 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine.

Molecular Properties

Compound Name2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine
PubChem CID155675919
Molecular FormulaC6H8ClN3O3
Molecular Weight205.60 g/mol
Exact Mass205.03
IUPAC Name2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine
SMILESCOC1=CC=C([N+](=O)[O-])C(N)(Cl)N1
InChIInChI=1S/C6H8ClN3O3/c1-13-5-3-2-4(10(11)12)6(7,8)9-5/h2-3,9H,8H2,1H3
InChIKeyQZACBWBIFGDQIA-UHFFFAOYSA-N
XLogP0.09
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine?
The IUPAC name of 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine (CID 155675919) is 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine.
What is the SMILES notation for 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine?
The canonical SMILES for 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine is COC1=CC=C([N+](=O)[O-])C(N)(Cl)N1.
What is the InChIKey of 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine?
The InChIKey is QZACBWBIFGDQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3/c1-13-5-3-2-4(10(11)12)6(7,8)9-5/h2-3,9H,8H2,1H3.
What are the key properties of 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine?
2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine has a molecular weight of 205.60 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-3-nitro-1H-pyridin-2-amine is sourced from PubChem (CID 155675919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).