N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine

C11H10N4O2 — CID 20550352

IUPACN-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine
SMILESCNc1nc(-c2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-12-11-10(15(16)17)3-2-9(14-11)8-4-6-13-7-5-8/h2-7H,1H3,(H,12,14)
InChIKeyWHDGIKDKHNQXDA-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.09
Rot. Bonds3

About N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine

N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine (PubChem CID 20550352) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine
PubChem CID20550352
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine
SMILESCNc1nc(-c2ccncc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O2/c1-12-11-10(15(16)17)3-2-9(14-11)8-4-6-13-7-5-8/h2-7H,1H3,(H,12,14)
InChIKeyWHDGIKDKHNQXDA-UHFFFAOYSA-N
XLogP2.09
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.09
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-4-pyridin-4-ylpyrimidin-2-amine
CID 114044551
N-methyl-3-nitropyridin-2-amine
CID 556349
5-nitro-6-pyridin-4-ylpyridin-2-amine
CID 13309018
6-ethoxy-N-methyl-3-nitropyridin-2-amine
CID 10631783
methyl (2S)-2-[(3-nitro-6-phenyl-2-pyridinyl)amino]propanoate
CID 57171837
6-methoxy-3-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 115321427
6-methoxy-3-nitro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 115321436
5-nitro-6-(1-pyridin-4-ylethylamino)pyridine-2-carboxylic acid
CID 114403632
ethane;methyl 4-[(3-nitro-6-phenyl-2-pyridinyl)amino]benzoate
CID 171069091
2-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-3-nitro-6-N-(pyridin-4-ylmethyl)pyridine-2,6-diamine
CID 67995901
2-chloro-3-nitro-6-pyridin-3-ylpyridine
CID 20550319
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The IUPAC name of N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine (CID 20550352) is N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine.
What is the SMILES notation for N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The canonical SMILES for N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine is CNc1nc(-c2ccncc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine?
The InChIKey is WHDGIKDKHNQXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-12-11-10(15(16)17)3-2-9(14-11)8-4-6-13-7-5-8/h2-7H,1H3,(H,12,14).
What are the key properties of N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine?
N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine has a molecular weight of 230.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-nitro-6-pyridin-4-ylpyridin-2-amine is sourced from PubChem (CID 20550352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).