[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol

C14H14N2O4 — CID 102881576

IUPAC[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
SMILESCc1cncc(COc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-10-4-12(7-15-6-10)9-20-14-3-2-11(8-17)5-13(14)16(18)19/h2-7,17H,8-9H2,1H3
InChIKeyPNIAUVFLORXDSP-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.37
Rot. Bonds5

About [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol

[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 102881576) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
PubChem CID102881576
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
SMILESCc1cncc(COc2ccc(CO)cc2[N+](=O)[O-])c1
InChIInChI=1S/C14H14N2O4/c1-10-4-12(7-15-6-10)9-20-14-3-2-11(8-17)5-13(14)16(18)19/h2-7,17H,8-9H2,1H3
InChIKeyPNIAUVFLORXDSP-UHFFFAOYSA-N
XLogP2.37
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
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-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 115982092
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrobenzaldehyde
CID 102881298
[4-[(5-chloro-1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326941
[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326894
[2-[(5-methyl-3-pyridinyl)methoxy]-5-nitrophenyl]methanamine
CID 102880371
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
[4-[(4-methoxy-2-nitrophenoxy)methyl]phenyl]methanol
CID 110005212
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-nitrobenzonitrile
CID 115969402

Frequently Asked Questions

What is the IUPAC name of [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol (CID 102881576) is [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol is Cc1cncc(COc2ccc(CO)cc2[N+](=O)[O-])c1.
What is the InChIKey of [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is PNIAUVFLORXDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-4-12(7-15-6-10)9-20-14-3-2-11(8-17)5-13(14)16(18)19/h2-7,17H,8-9H2,1H3.
What are the key properties of [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol?
[4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol has a molecular weight of 274.28 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 102881576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).