2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol

C20H16N2O3 — CID 174392989

IUPAC2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol
SMILESCc1nc(C=Cc2ccccc2[N+](=O)[O-])ccc1-c1ccccc1O
InChIInChI=1S/C20H16N2O3/c1-14-17(18-7-3-5-9-20(18)23)13-12-16(21-14)11-10-15-6-2-4-8-19(15)22(24)25/h2-13,23H,1H3
InChIKeyLUAQOBBZEJEBAK-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.84
Rot. Bonds4

About 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol

2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol (PubChem CID 174392989) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol
PubChem CID174392989
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol
SMILESCc1nc(C=Cc2ccccc2[N+](=O)[O-])ccc1-c1ccccc1O
InChIInChI=1S/C20H16N2O3/c1-14-17(18-7-3-5-9-20(18)23)13-12-16(21-14)11-10-15-6-2-4-8-19(15)22(24)25/h2-13,23H,1H3
InChIKeyLUAQOBBZEJEBAK-UHFFFAOYSA-N
XLogP4.84
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.84
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-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]acetic acid
CID 70040881
[2-methyl-6-[(E)-2-(2-nitrophenyl)ethenyl]-3-pyridinyl] acetate
CID 69156209
[5-methyl-2-[2-(2-nitrophenyl)ethenyl]quinolin-8-yl] acetate
CID 2862082
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
4-[2-(2-nitrophenyl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
CID 2986701
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol?
The IUPAC name of 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol (CID 174392989) is 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol.
What is the SMILES notation for 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol?
The canonical SMILES for 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol is Cc1nc(C=Cc2ccccc2[N+](=O)[O-])ccc1-c1ccccc1O.
What is the InChIKey of 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol?
The InChIKey is LUAQOBBZEJEBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-14-17(18-7-3-5-9-20(18)23)13-12-16(21-14)11-10-15-6-2-4-8-19(15)22(24)25/h2-13,23H,1H3.
What are the key properties of 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol?
2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol has a molecular weight of 332.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-6-[2-(2-nitrophenyl)ethenyl]-3-pyridinyl]phenol is sourced from PubChem (CID 174392989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).