6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine

C13H14N4O2 — CID 103113863

IUPAC6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
SMILESCc1c(CNc2cccc(N)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-9-10(4-2-5-11(9)17(18)19)8-15-13-7-3-6-12(14)16-13/h2-7H,8H2,1H3,(H3,14,15,16)
InChIKeyZAFVQFQEYNIVIL-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.49
Rot. Bonds4

About 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine

6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine (PubChem CID 103113863) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
PubChem CID103113863
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine
SMILESCc1c(CNc2cccc(N)n2)cccc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-9-10(4-2-5-11(9)17(18)19)8-15-13-7-3-6-12(14)16-13/h2-7H,8H2,1H3,(H3,14,15,16)
InChIKeyZAFVQFQEYNIVIL-UHFFFAOYSA-N
XLogP2.49
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
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

2-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidine-2,4-diamine
CID 103113864
2-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 103112013
6-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]pyridin-2-amine
CID 103112015
6-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyridazin-3-amine
CID 103112008
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
6-chloro-N-[(2-methyl-3-nitrophenyl)methyl]pyrimidin-4-amine
CID 106196938
N-[(2-methyl-3-nitrophenyl)methyl]-5-nitropyrimidin-2-amine
CID 103111976
3,5-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]aniline
CID 43509012
N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 22170308
4-[(2-methyl-3-nitrophenyl)methylamino]benzonitrile
CID 43509010
6-methoxy-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 63591480
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027

Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine (CID 103113863) is 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine is Cc1c(CNc2cccc(N)n2)cccc1[N+](=O)[O-].
What is the InChIKey of 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is ZAFVQFQEYNIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-10(4-2-5-11(9)17(18)19)8-15-13-7-3-6-12(14)16-13/h2-7H,8H2,1H3,(H3,14,15,16).
What are the key properties of 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine?
6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 258.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methyl-3-nitrophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 103113863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).