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

C6H9N3O3 — CID 150073959

IUPAC6-methoxy-3-nitro-2H-pyridin-1-amine
SMILESCOC1=CC=C([N+](=O)[O-])CN1N
InChIInChI=1S/C6H9N3O3/c1-12-6-3-2-5(9(10)11)4-8(6)7/h2-3H,4,7H2,1H3
InChIKeyDPWGQDLVZRKXAE-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.18
Rot. Bonds2

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

6-methoxy-3-nitro-2H-pyridin-1-amine (PubChem CID 150073959) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-methoxy-3-nitro-2H-pyridin-1-amine.

Molecular Properties

Compound Name6-methoxy-3-nitro-2H-pyridin-1-amine
PubChem CID150073959
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name6-methoxy-3-nitro-2H-pyridin-1-amine
SMILESCOC1=CC=C([N+](=O)[O-])CN1N
InChIInChI=1S/C6H9N3O3/c1-12-6-3-2-5(9(10)11)4-8(6)7/h2-3H,4,7H2,1H3
InChIKeyDPWGQDLVZRKXAE-UHFFFAOYSA-N
XLogP-0.18
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

methanol;4-methoxycyclopenta-1,3-diene-1-carbaldehyde;4-nitrocyclopenta-1,3-diene-1-carbaldehyde
CID 158468710
1-hydroxy-5-methyl-3-nitro-2H-pyridine
CID 67457839
1-(4-nitrocyclohexa-1,3-dien-1-yl)piperidin-4-one
CID 142109126
1-(3,3-difluoro-1-methylcyclobutyl)-3-nitro-6-pyridin-3-yl-2H-pyridine
CID 175174631
N,1,2-trimethyl-5-nitrocyclohexa-2,4-diene-1-sulfonamide
CID 163604247
3-methyl-1-(4-nitrocyclohexa-1,3-dien-1-yl)pyrrolidin-2-one
CID 145284398
1-(4-methoxy-2-nitrophenyl)sulfonylpiperidin-2-amine
CID 14786920
1-nitro-4-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 144623762
N-methyl-1-(4-nitrocyclopenta-1,3-dien-1-yl)methanamine
CID 118311568
ethane;(4-nitrocyclohexa-1,3-dien-1-yl) carbonochloridate
CID 143037585
1-(4-methoxy-2-nitrophenyl)sulfonylazetidin-3-amine
CID 65244885
3-nitrocyclopent-2-en-1-one
CID 12657513

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-nitro-2H-pyridin-1-amine?
The IUPAC name of 6-methoxy-3-nitro-2H-pyridin-1-amine (CID 150073959) is 6-methoxy-3-nitro-2H-pyridin-1-amine.
What is the SMILES notation for 6-methoxy-3-nitro-2H-pyridin-1-amine?
The canonical SMILES for 6-methoxy-3-nitro-2H-pyridin-1-amine is COC1=CC=C([N+](=O)[O-])CN1N.
What is the InChIKey of 6-methoxy-3-nitro-2H-pyridin-1-amine?
The InChIKey is DPWGQDLVZRKXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-12-6-3-2-5(9(10)11)4-8(6)7/h2-3H,4,7H2,1H3.
What are the key properties of 6-methoxy-3-nitro-2H-pyridin-1-amine?
6-methoxy-3-nitro-2H-pyridin-1-amine has a molecular weight of 171.16 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-nitro-2H-pyridin-1-amine is sourced from PubChem (CID 150073959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).