(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine

C13H13N3O2 — CID 43825641

IUPAC(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1cccnc1
InChIInChI=1S/C13H13N3O2/c1-9-4-5-11(16(17)18)7-12(9)13(14)10-3-2-6-15-8-10/h2-8,13H,14H2,1H3
InChIKeyXPYZYMDGAWUMJC-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.35
Rot. Bonds3

About (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine

(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine (PubChem CID 43825641) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
PubChem CID43825641
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine
SMILESCc1ccc([N+](=O)[O-])cc1C(N)c1cccnc1
InChIInChI=1S/C13H13N3O2/c1-9-4-5-11(16(17)18)7-12(9)13(14)10-3-2-6-15-8-10/h2-8,13H,14H2,1H3
InChIKeyXPYZYMDGAWUMJC-UHFFFAOYSA-N
XLogP2.35
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
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-nitrophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43825315
(4-ethylphenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825316
2-(difluoromethyl)-4-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 63748816
(2,6-difluorophenyl)-(2-methyl-5-nitrophenyl)methanamine
CID 43825297
4-nitro-2-(1-pyridin-3-ylethoxy)aniline
CID 82037809
1-(2-methyl-5-nitrophenyl)-2-(2-methylphenyl)ethanamine
CID 43825307
1-(3-nitrophenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43181736
ethane;1-methyl-4-nitro-2-propan-2-ylbenzene
CID 143798410
(3-fluoro-4-methylphenyl)-pyridin-3-ylmethanamine
CID 60923509
2-[(1S)-1-chloroethyl]-1-methyl-4-nitrobenzene
CID 97184321
(2-bromo-4-methylphenyl)-pyridin-3-ylmethanamine
CID 115799755
2-methoxy-5-nitro-N-(1-pyridin-3-ylethyl)aniline
CID 43717789

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine (CID 43825641) is (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine is Cc1ccc([N+](=O)[O-])cc1C(N)c1cccnc1.
What is the InChIKey of (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine?
The InChIKey is XPYZYMDGAWUMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-4-5-11(16(17)18)7-12(9)13(14)10-3-2-6-15-8-10/h2-8,13H,14H2,1H3.
What are the key properties of (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine?
(2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine has a molecular weight of 243.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitrophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 43825641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).