2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol

C14H15N3O3 — CID 81138787

IUPAC2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
SMILESCc1ccc([N+](=O)[O-])c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-10-7-8-12(17(19)20)14(16-10)15-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,15,16)
InChIKeySMQMARVDLKOVLF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.44
Rot. Bonds5

About 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol

2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol (PubChem CID 81138787) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
PubChem CID81138787
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol
SMILESCc1ccc([N+](=O)[O-])c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c1-10-7-8-12(17(19)20)14(16-10)15-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,15,16)
InChIKeySMQMARVDLKOVLF-UHFFFAOYSA-N
XLogP2.44
TPSA88.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.44
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

6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
3-[[(6-methyl-3-nitro-2-pyridinyl)amino]methyl]pentan-1-ol
CID 81138189
6-methyl-N-(2-methyl-2-phenylpropyl)-3-nitropyridin-2-amine
CID 81140719
2-(4-methyl-3-nitroanilino)-1-phenylethanol
CID 60720529
4-methyl-4-[(6-methyl-3-nitro-2-pyridinyl)amino]pentanoic acid
CID 81131671
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
CID 60634143
2,4-dimethyl-1-[(6-methyl-3-nitro-2-pyridinyl)amino]pentan-2-ol
CID 81139120
N-(2-ethylhexyl)-6-methyl-3-nitropyridin-2-amine
CID 107816616
2-[[2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetyl]amino]acetic acid
CID 81131544
2-[(2-hydroxy-2-phenylethyl)amino]-4,6-dimethylpyridine-3-carboxylic acid
CID 103604242
N-tert-butyl-2-[(6-methyl-3-nitro-2-pyridinyl)amino]acetamide
CID 81333468
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol?
The IUPAC name of 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol (CID 81138787) is 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol is Cc1ccc([N+](=O)[O-])c(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol?
The InChIKey is SMQMARVDLKOVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-7-8-12(17(19)20)14(16-10)15-9-13(18)11-5-3-2-4-6-11/h2-8,13,18H,9H2,1H3,(H,15,16).
What are the key properties of 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol?
2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol has a molecular weight of 273.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-3-nitro-2-pyridinyl)amino]-1-phenylethanol is sourced from PubChem (CID 81138787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).