1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol

C14H14N2O3 — CID 66490091

IUPAC1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1C(C)O
InChIInChI=1S/C14H14N2O3/c1-9-13(10(2)17)7-8-14(15-9)11-3-5-12(6-4-11)16(18)19/h3-8,10,17H,1-2H3
InChIKeyBZNSHVVQPVGDBN-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.02
Rot. Bonds3

About 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol

1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol (PubChem CID 66490091) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol.

Molecular Properties

Compound Name1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
PubChem CID66490091
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol
SMILESCc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1C(C)O
InChIInChI=1S/C14H14N2O3/c1-9-13(10(2)17)7-8-14(15-9)11-3-5-12(6-4-11)16(18)19/h3-8,10,17H,1-2H3
InChIKeyBZNSHVVQPVGDBN-UHFFFAOYSA-N
XLogP3.02
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.02
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

1-[6-(4-methoxyphenyl)-2-methyl-3-pyridinyl]ethanol
CID 66490069
(E)-3-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]prop-2-enoic acid
CID 82453485
1-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]ethanol
CID 64544117
1-[5-(4-methylphenyl)-2-nitrophenyl]ethanol
CID 177352423
ethane;6-(4-nitrophenyl)pyridin-3-ol
CID 144843001
(1S)-1-[5-(4-nitrophenyl)furan-2-yl]ethanol
CID 177461578
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 62771904
6-(4-bromophenyl)-2-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 155810331
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
4-[3-(4-methylphenyl)phenyl]-6-(4-nitrophenyl)pyrimidin-2-amine
CID 59104297
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol?
The IUPAC name of 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol (CID 66490091) is 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol.
What is the SMILES notation for 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol?
The canonical SMILES for 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol is Cc1nc(-c2ccc([N+](=O)[O-])cc2)ccc1C(C)O.
What is the InChIKey of 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol?
The InChIKey is BZNSHVVQPVGDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9-13(10(2)17)7-8-14(15-9)11-3-5-12(6-4-11)16(18)19/h3-8,10,17H,1-2H3.
What are the key properties of 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol?
1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol has a molecular weight of 258.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(4-nitrophenyl)-3-pyridinyl]ethanol is sourced from PubChem (CID 66490091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).