2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol

C14H15N3O4 — CID 133329764

IUPAC2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
SMILESCc1cc(Nc2ccc(OCCO)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-10-8-14(15-9-13(10)17(19)20)16-11-2-4-12(5-3-11)21-7-6-18/h2-5,8-9,18H,6-7H2,1H3,(H,15,16)
InChIKeySKNDZUMAGDQJIC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol

2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol (PubChem CID 133329764) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
PubChem CID133329764
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
SMILESCc1cc(Nc2ccc(OCCO)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O4/c1-10-8-14(15-9-13(10)17(19)20)16-11-2-4-12(5-3-11)21-7-6-18/h2-5,8-9,18H,6-7H2,1H3,(H,15,16)
InChIKeySKNDZUMAGDQJIC-UHFFFAOYSA-N
XLogP2.41
TPSA97.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
CID 133329432
4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
4-methyl-5-nitro-N-[4-(oxan-4-ylmethoxy)phenyl]pyridin-2-amine
CID 133339951
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
N-(3-methoxy-4-propan-2-yloxyphenyl)-4-methyl-5-nitropyridin-2-amine
CID 133477676
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
4-methyl-N-[2-(3-methylphenoxy)ethyl]-5-nitropyridin-2-amine
CID 79165242
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-4-methyl-5-nitropyridin-2-amine
CID 133339689
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232424
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-4-methyl-5-nitropyridin-2-amine
CID 133385249
3-N-ethyl-3-N-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 133329240

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol?
The IUPAC name of 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol (CID 133329764) is 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol is Cc1cc(Nc2ccc(OCCO)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol?
The InChIKey is SKNDZUMAGDQJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-10-8-14(15-9-13(10)17(19)20)16-11-2-4-12(5-3-11)21-7-6-18/h2-5,8-9,18H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol?
2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol has a molecular weight of 289.29 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol is sourced from PubChem (CID 133329764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).