N,N-dimethyl-3-nitropyridin-4-amine

C7H9N3O2 — CID 3760629

IUPACN,N-dimethyl-3-nitropyridin-4-amine
SMILESCN(C)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O2/c1-9(2)6-3-4-8-5-7(6)10(11)12/h3-5H,1-2H3
InChIKeyGEHOQYGRCHPWEJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.06
Rot. Bonds2

About N,N-dimethyl-3-nitropyridin-4-amine

N,N-dimethyl-3-nitropyridin-4-amine (PubChem CID 3760629) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N,N-dimethyl-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-nitropyridin-4-amine
PubChem CID3760629
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN,N-dimethyl-3-nitropyridin-4-amine
SMILESCN(C)c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C7H9N3O2/c1-9(2)6-3-4-8-5-7(6)10(11)12/h3-5H,1-2H3
InChIKeyGEHOQYGRCHPWEJ-UHFFFAOYSA-N
XLogP1.06
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.06
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

2-[2-hydroxyethyl-(3-nitro-4-pyridinyl)amino]ethanol
CID 61234932
2-methyl-3-[methyl-(3-nitro-4-pyridinyl)amino]propanoic acid
CID 55007246
3-[methyl-(3-nitro-4-pyridinyl)amino]butanenitrile
CID 63228305
N,N-dibenzyl-3-nitropyridin-4-amine
CID 69170535
2-[ethyl-(3-nitro-4-pyridinyl)amino]-2-methylpropanoic acid
CID 62818391
3-[(3-nitro-4-pyridinyl)-propan-2-ylamino]propan-1-ol
CID 61145730
4-tert-butyl-3-nitropyridine
CID 59463874
2-[2-methylpropyl-(3-nitro-4-pyridinyl)amino]acetic acid
CID 63064145
4-[methyl-(3-nitro-4-pyridinyl)amino]oxolane-3-carboxylic acid
CID 66235774
methoxymethane;4-methoxy-3-nitropyridine
CID 155689380
N,N,2-trimethyl-5-nitropyridin-4-amine
CID 70227740
N,N-dimethyl-2-[(3-nitro-4-pyridinyl)amino]propanamide
CID 54950233

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-nitropyridin-4-amine?
The IUPAC name of N,N-dimethyl-3-nitropyridin-4-amine (CID 3760629) is N,N-dimethyl-3-nitropyridin-4-amine.
What is the SMILES notation for N,N-dimethyl-3-nitropyridin-4-amine?
The canonical SMILES for N,N-dimethyl-3-nitropyridin-4-amine is CN(C)c1ccncc1[N+](=O)[O-].
What is the InChIKey of N,N-dimethyl-3-nitropyridin-4-amine?
The InChIKey is GEHOQYGRCHPWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-9(2)6-3-4-8-5-7(6)10(11)12/h3-5H,1-2H3.
What are the key properties of N,N-dimethyl-3-nitropyridin-4-amine?
N,N-dimethyl-3-nitropyridin-4-amine has a molecular weight of 167.17 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-nitropyridin-4-amine is sourced from PubChem (CID 3760629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).