(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol

C13H12BrNO2 — CID 19692713

IUPAC(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol
SMILESOCc1ccc(OCc2ccccc2)c(Br)n1
InChIInChI=1S/C13H12BrNO2/c14-13-12(7-6-11(8-16)15-13)17-9-10-4-2-1-3-5-10/h1-7,16H,8-9H2
InChIKeyQEQNQQKOLNNSQI-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.92
Rot. Bonds4

About (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol

(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol (PubChem CID 19692713) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol.

Molecular Properties

Compound Name(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol
PubChem CID19692713
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol
SMILESOCc1ccc(OCc2ccccc2)c(Br)n1
InChIInChI=1S/C13H12BrNO2/c14-13-12(7-6-11(8-16)15-13)17-9-10-4-2-1-3-5-10/h1-7,16H,8-9H2
InChIKeyQEQNQQKOLNNSQI-UHFFFAOYSA-N
XLogP2.92
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-Benzyloxy-6-bromopyridine
CID 817475
3-(Benzyloxy)-2-bromopyridine
CID 10778000
4-[3-[[2-[(3-Bromophenyl)methyl]-3-pyridinyl]oxy]propyl]pyridin-3-ol
CID 23506283
2-Bromo-3-methoxyquinoline
CID 12958745
[6-Methyl-3-[[4-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanol
CID 71867088
[6-[(4-Methoxy-2-methylphenoxy)methyl]-2-pyridinyl]methanol
CID 137349432
3-[[6-(Hydroxymethyl)-2-pyridinyl]methoxy]-2-methylphenol
CID 155804561
(5-(Benzyloxy)pyridin-2-yl)methanol
CID 11736050
3-Benzyloxy-2,6-bis(hydroxymethyl)pyridine
CID 12397255
2,3-Dimethyl-6-(phenoxymethyl)pyridine
CID 17805137
2-Hydroxymethyl-3-benzylhydroxyl-6-(2'-nitro-1'-hydroxy)ethyl pyridine
CID 24728313
3-Methoxy-2,6-pyridinedimethanol
CID 119094764

Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol?
The IUPAC name of (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol (CID 19692713) is (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol.
What is the SMILES notation for (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol?
The canonical SMILES for (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol is OCc1ccc(OCc2ccccc2)c(Br)n1.
What is the InChIKey of (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol?
The InChIKey is QEQNQQKOLNNSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c14-13-12(7-6-11(8-16)15-13)17-9-10-4-2-1-3-5-10/h1-7,16H,8-9H2.
What are the key properties of (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol?
(6-bromo-5-phenylmethoxy-2-pyridinyl)methanol has a molecular weight of 294.15 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-phenylmethoxy-2-pyridinyl)methanol is sourced from PubChem (CID 19692713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).