2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine

C12H10BrClN2O — CID 79799954

IUPAC2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
SMILESClc1cnccc1COc1ccc(CBr)nc1
InChIInChI=1S/C12H10BrClN2O/c13-5-10-1-2-11(6-16-10)17-8-9-3-4-15-7-12(9)14/h1-4,6-7H,5,8H2
InChIKeyLBCMENMHNFVOIG-UHFFFAOYSA-N
MW313.58 g/mol
LogP3.60
Rot. Bonds4

About 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine

2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine (PubChem CID 79799954) has the molecular formula C12H10BrClN2O and a molecular weight of 313.58 g/mol. Its IUPAC name is 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
PubChem CID79799954
Molecular FormulaC12H10BrClN2O
Molecular Weight313.58 g/mol
Exact Mass311.97
IUPAC Name2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine
SMILESClc1cnccc1COc1ccc(CBr)nc1
InChIInChI=1S/C12H10BrClN2O/c13-5-10-1-2-11(6-16-10)17-8-9-3-4-15-7-12(9)14/h1-4,6-7H,5,8H2
InChIKeyLBCMENMHNFVOIG-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.58
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-5-(pyridin-4-ylmethoxy)pyridine
CID 79799847
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
2-(bromomethyl)-5-[(2-methoxyphenyl)methoxy]pyridine
CID 79799388
3-chloro-4-[(1-methylpyrazol-4-yl)oxymethyl]pyridine
CID 116794133
3-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]pyridine-2-carbonitrile
CID 79799573
5-[(2-chlorophenyl)methoxy]-2-(nitrosomethyl)pyridine
CID 123537932
N-[4-[4-[(3-chloro-4-pyridinyl)methoxy]phenyl]butan-2-ylidene]hydroxylamine
CID 77075525
1-[4-[(3-chloro-4-pyridinyl)methoxy]-2-fluorophenyl]ethanol
CID 107719563
2-(bromomethyl)-5-[(5-ethylthiophen-2-yl)methoxy]pyridine
CID 79800580
2-(bromomethyl)-5-[(5-bromothiophen-2-yl)methoxy]pyridine
CID 79800755
4-[[6-(bromomethyl)-3-pyridinyl]oxymethyl]-3-fluorobenzonitrile
CID 79800036
N-[[3,5-dibromo-4-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 107742115

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine?
The IUPAC name of 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine (CID 79799954) is 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine?
The canonical SMILES for 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine is Clc1cnccc1COc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine?
The InChIKey is LBCMENMHNFVOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2O/c13-5-10-1-2-11(6-16-10)17-8-9-3-4-15-7-12(9)14/h1-4,6-7H,5,8H2.
What are the key properties of 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine?
2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine has a molecular weight of 313.58 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-[(3-chloro-4-pyridinyl)methoxy]pyridine is sourced from PubChem (CID 79799954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).