5-nitro-6-(2-propoxyphenyl)pyridin-2-amine

C14H15N3O3 — CID 104663163

IUPAC5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccccc1-c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-2-9-20-12-6-4-3-5-10(12)14-11(17(18)19)7-8-13(15)16-14/h3-8H,2,9H2,1H3,(H2,15,16)
InChIKeyZCMBZEMFJSMWLC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.03
Rot. Bonds5

About 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine

5-nitro-6-(2-propoxyphenyl)pyridin-2-amine (PubChem CID 104663163) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
PubChem CID104663163
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
SMILESCCCOc1ccccc1-c1nc(N)ccc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-2-9-20-12-6-4-3-5-10(12)14-11(17(18)19)7-8-13(15)16-14/h3-8H,2,9H2,1H3,(H2,15,16)
InChIKeyZCMBZEMFJSMWLC-UHFFFAOYSA-N
XLogP3.03
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-methyl-5-nitro-6-(2-propoxyphenyl)pyridin-2-amine
CID 104663109
6-(3-fluoro-2-methylphenyl)-5-nitropyridin-2-amine
CID 115503029
4-(2-propoxyphenyl)phthalazin-1-amine
CID 104663111
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
N,5,6-trimethyl-3-(2-propoxyphenyl)pyrazin-2-amine
CID 104663142
6-(2-bromophenoxy)-5-nitropyridin-2-amine
CID 80859645
2-amino-N,N,4-trimethyl-6-(2-propoxyphenyl)pyrimidine-5-carboxamide
CID 54851987
6-(2,3-difluorophenoxy)-5-nitropyridin-2-amine
CID 80880828
potassium 2-propoxyphenolate
CID 23686802
3-nitro-2-[2-[2-(3-nitro-2-pyridinyl)phenoxy]phenyl]pyridine
CID 175178315
5-bromo-3-nitro-2-(2-propoxyphenoxy)pyridine
CID 61374167
3-nitro-2-N-(3-propoxypropyl)pyridine-2,6-diamine
CID 82946841

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The IUPAC name of 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine (CID 104663163) is 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The canonical SMILES for 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine is CCCOc1ccccc1-c1nc(N)ccc1[N+](=O)[O-].
What is the InChIKey of 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
The InChIKey is ZCMBZEMFJSMWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-9-20-12-6-4-3-5-10(12)14-11(17(18)19)7-8-13(15)16-14/h3-8H,2,9H2,1H3,(H2,15,16).
What are the key properties of 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine?
5-nitro-6-(2-propoxyphenyl)pyridin-2-amine has a molecular weight of 273.29 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(2-propoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 104663163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).