N,N,2-trimethyl-5-nitropyridin-4-amine

C8H11N3O2 — CID 70227740

IUPACN,N,2-trimethyl-5-nitropyridin-4-amine
SMILESCc1cc(N(C)C)c([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O2/c1-6-4-7(10(2)3)8(5-9-6)11(12)13/h4-5H,1-3H3
InChIKeySPXRQPKILOMWEP-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.36
Rot. Bonds2

About N,N,2-trimethyl-5-nitropyridin-4-amine

N,N,2-trimethyl-5-nitropyridin-4-amine (PubChem CID 70227740) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N,N,2-trimethyl-5-nitropyridin-4-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-nitropyridin-4-amine
PubChem CID70227740
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN,N,2-trimethyl-5-nitropyridin-4-amine
SMILESCc1cc(N(C)C)c([N+](=O)[O-])cn1
InChIInChI=1S/C8H11N3O2/c1-6-4-7(10(2)3)8(5-9-6)11(12)13/h4-5H,1-3H3
InChIKeySPXRQPKILOMWEP-UHFFFAOYSA-N
XLogP1.36
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.36
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-methyl-5-nitro-4-pyridinyl)phosphane
CID 143256798
N,N-dimethyl-3-nitropyridin-4-amine
CID 3760629
N-methylmethanamine;N,N,4-trimethyl-5-nitropyridin-2-amine
CID 161075001
5-bromo-N,N,4-trimethyl-2-nitroaniline
CID 131143954
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
4-bromo-N,N,2-trimethyl-5-nitroaniline
CID 118834303
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
5-methoxy-N,N-dimethyl-2-nitroaniline
CID 19827456
5-fluoro-4-iodo-N,N-dimethyl-2-nitroaniline
CID 130557612
2,4-bis(dimethylamino)-5-nitrobenzenesulfonic acid
CID 23172113
tert-butyl N-(2-methoxy-5-nitro-4-pyridinyl)-N-methylcarbamate
CID 178113661
3-fluoro-N,N,2-trimethyl-4-nitroaniline
CID 130865181

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-5-nitropyridin-4-amine?
The IUPAC name of N,N,2-trimethyl-5-nitropyridin-4-amine (CID 70227740) is N,N,2-trimethyl-5-nitropyridin-4-amine.
What is the SMILES notation for N,N,2-trimethyl-5-nitropyridin-4-amine?
The canonical SMILES for N,N,2-trimethyl-5-nitropyridin-4-amine is Cc1cc(N(C)C)c([N+](=O)[O-])cn1.
What is the InChIKey of N,N,2-trimethyl-5-nitropyridin-4-amine?
The InChIKey is SPXRQPKILOMWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6-4-7(10(2)3)8(5-9-6)11(12)13/h4-5H,1-3H3.
What are the key properties of N,N,2-trimethyl-5-nitropyridin-4-amine?
N,N,2-trimethyl-5-nitropyridin-4-amine has a molecular weight of 181.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-nitropyridin-4-amine is sourced from PubChem (CID 70227740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).