[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol

C14H14N2O4 — CID 115982092

IUPAC[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
SMILESCc1cccnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-10-3-2-6-15-12(10)9-20-14-5-4-11(8-17)7-13(14)16(18)19/h2-7,17H,8-9H2,1H3
InChIKeySKYIDDQABBKVRH-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.37
Rot. Bonds5

About [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol

[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol (PubChem CID 115982092) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
PubChem CID115982092
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol
SMILESCc1cccnc1COc1ccc(CO)cc1[N+](=O)[O-]
InChIInChI=1S/C14H14N2O4/c1-10-3-2-6-15-12(10)9-20-14-5-4-11(8-17)7-13(14)16(18)19/h2-7,17H,8-9H2,1H3
InChIKeySKYIDDQABBKVRH-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-[(5-methyl-3-pyridinyl)methoxy]-3-nitrophenyl]methanol
CID 102881576
3-[(3-methyl-2-pyridinyl)methoxy]-4-nitrobenzaldehyde
CID 115886860
[4-[(4-fluoro-2-methylphenyl)methoxy]-3-nitrophenyl]methanol
CID 114346258
[4-[(1-methylimidazol-2-yl)methoxy]-3-nitrophenyl]methanol
CID 43326894
[4-[(2,6-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 114930513
[4-[(3-methoxyphenyl)methoxy]-3-nitrophenyl]methanol
CID 28963761
1-[2-[(3-methyl-2-pyridinyl)methoxy]-5-nitrophenyl]ethanol
CID 116541889
[4-[(3,5-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 105404109
[4-[(2-bromophenyl)methoxy]-3-nitrophenyl]methanol
CID 43137760
[4-[(3,4-difluorophenyl)methoxy]-3-nitrophenyl]methanol
CID 82917501
(3-nitro-4-propan-2-yloxyphenyl)methanol
CID 28963964
2-[[4-(hydroxymethyl)-2-nitrophenoxy]methyl]benzonitrile
CID 43319804

Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The IUPAC name of [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol (CID 115982092) is [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol.
What is the SMILES notation for [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The canonical SMILES for [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol is Cc1cccnc1COc1ccc(CO)cc1[N+](=O)[O-].
What is the InChIKey of [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol?
The InChIKey is SKYIDDQABBKVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-10-3-2-6-15-12(10)9-20-14-5-4-11(8-17)7-13(14)16(18)19/h2-7,17H,8-9H2,1H3.
What are the key properties of [4-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol?
[4-[(3-methyl-2-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-[(3-methyl-2-pyridinyl)methoxy]-3-nitrophenyl]methanol is sourced from PubChem (CID 115982092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).