[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol

C14H15N3O3 — CID 107232424

IUPAC[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(NCc2ccc(CO)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-6-14(16-8-13(10)17(19)20)15-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9H2,1H3,(H,15,16)
InChIKeyRJHWUHOLOTVAHF-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.40
Rot. Bonds5

About [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107232424) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107232424
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESCc1cc(NCc2ccc(CO)cc2)ncc1[N+](=O)[O-]
InChIInChI=1S/C14H15N3O3/c1-10-6-14(16-8-13(10)17(19)20)15-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9H2,1H3,(H,15,16)
InChIKeyRJHWUHOLOTVAHF-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
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

4-[[(5-methyl-4-nitro-2-pyridinyl)amino]methyl]phenol
CID 114332551
1-[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]-3-propan-2-ylurea
CID 154749625
N-[(4-ethoxy-3-methylphenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133339278
N-[(4-bromo-3-fluorophenyl)methyl]-4-methyl-5-nitropyridin-2-amine
CID 133342970
N-[(4-bromophenyl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266878
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
4-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 79173432
4-methyl-N-[(5-methylthiophen-2-yl)methyl]-5-nitropyridin-2-amine
CID 79176589
4-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]-5-nitropyridin-2-amine
CID 133422618
5-[(4-methyl-5-nitro-2-pyridinyl)amino]pentan-1-ol
CID 107302588
4-methyl-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridin-2-amine
CID 103952381
[4-[[(4-amino-5-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231544

Frequently Asked Questions

What is the IUPAC name of [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107232424) is [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol is Cc1cc(NCc2ccc(CO)cc2)ncc1[N+](=O)[O-].
What is the InChIKey of [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is RJHWUHOLOTVAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-6-14(16-8-13(10)17(19)20)15-7-11-2-4-12(9-18)5-3-11/h2-6,8,18H,7,9H2,1H3,(H,15,16).
What are the key properties of [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 273.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(4-methyl-5-nitro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).