[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol

C14H13BrN2O4 — CID 79158522

IUPAC[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2Br)c(CO)n1
InChIInChI=1S/C14H13BrN2O4/c1-9-2-5-14(13(7-18)16-9)21-8-10-3-4-11(17(19)20)6-12(10)15/h2-6,18H,7-8H2,1H3
InChIKeyRSDZFBOYBAWGTF-UHFFFAOYSA-N
MW353.17 g/mol
LogP3.13
Rot. Bonds5

About [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol

[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol (PubChem CID 79158522) has the molecular formula C14H13BrN2O4 and a molecular weight of 353.17 g/mol. Its IUPAC name is [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
PubChem CID79158522
Molecular FormulaC14H13BrN2O4
Molecular Weight353.17 g/mol
Exact Mass352.01
IUPAC Name[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
SMILESCc1ccc(OCc2ccc([N+](=O)[O-])cc2Br)c(CO)n1
InChIInChI=1S/C14H13BrN2O4/c1-9-2-5-14(13(7-18)16-9)21-8-10-3-4-11(17(19)20)6-12(10)15/h2-6,18H,7-8H2,1H3
InChIKeyRSDZFBOYBAWGTF-UHFFFAOYSA-N
XLogP3.13
TPSA85.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.17
LogP ≤ 53.13
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

[3-[(5-chloro-2-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79557329
1-[(2-bromo-4-nitrophenyl)methoxy]-2,3-dimethylbenzene
CID 103432348
2-[2-[(2-bromo-4-nitrophenyl)methoxy]phenyl]ethanol
CID 107713238
2-(bromomethyl)-3-[(4-bromo-2-nitrophenyl)methoxy]-6-methylpyridine
CID 114381887
3-[(2-bromo-4-nitrophenyl)methoxy]-5-methylphenol
CID 107680337
2-(chloromethyl)-6-methyl-3-[(3-nitrophenyl)methoxy]pyridine
CID 79169537
2-bromo-1-[(2-chlorophenoxy)methyl]-4-nitrobenzene
CID 64764344
2-bromo-1-[[2-(bromomethyl)-4-fluorophenoxy]methyl]-4-nitrobenzene
CID 107699082
2-bromo-1-[(4-iodophenoxy)methyl]-4-nitrobenzene
CID 63531123
4-(bromomethyl)-1-[(2-bromo-4-nitrophenyl)methoxy]-2-chlorobenzene
CID 63534879
N-methyl-1-[6-methyl-3-[(4-nitrophenyl)methoxy]-2-pyridinyl]methanamine
CID 79157121
2-bromo-1-[(2-chloro-4-nitrophenyl)methoxy]-4-methylbenzene
CID 63529440

Frequently Asked Questions

What is the IUPAC name of [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The IUPAC name of [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol (CID 79158522) is [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The canonical SMILES for [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol is Cc1ccc(OCc2ccc([N+](=O)[O-])cc2Br)c(CO)n1.
What is the InChIKey of [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
The InChIKey is RSDZFBOYBAWGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4/c1-9-2-5-14(13(7-18)16-9)21-8-10-3-4-11(17(19)20)6-12(10)15/h2-6,18H,7-8H2,1H3.
What are the key properties of [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol?
[3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol has a molecular weight of 353.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-bromo-4-nitrophenyl)methoxy]-6-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 79158522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).