3-(bromomethyl)-4-(3-methoxyphenyl)pyridine

C13H12BrNO — CID 115824632

IUPAC3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccncc2CBr)c1
InChIInChI=1S/C13H12BrNO/c1-16-12-4-2-3-10(7-12)13-5-6-15-9-11(13)8-14/h2-7,9H,8H2,1H3
InChIKeyPEPICHOIOHOLTP-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.65
Rot. Bonds3

About 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine

3-(bromomethyl)-4-(3-methoxyphenyl)pyridine (PubChem CID 115824632) has the molecular formula C13H12BrNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
PubChem CID115824632
Molecular FormulaC13H12BrNO
Molecular Weight278.15 g/mol
Exact Mass277.01
IUPAC Name3-(bromomethyl)-4-(3-methoxyphenyl)pyridine
SMILESCOc1cccc(-c2ccncc2CBr)c1
InChIInChI=1S/C13H12BrNO/c1-16-12-4-2-3-10(7-12)13-5-6-15-9-11(13)8-14/h2-7,9H,8H2,1H3
InChIKeyPEPICHOIOHOLTP-UHFFFAOYSA-N
XLogP3.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-isocyanato-4-(3-methoxyphenyl)pyridine
CID 115035468
4-(3-bromophenyl)-3-ethylpyridine
CID 118884339
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
4-ethyl-5-(3-methoxyphenyl)pyridin-2-amine
CID 171854790
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-[2-(3-methoxyphenyl)phenyl]acetic acid
CID 2759556
5-(3-methoxyphenyl)pyridine-3,4-diamine
CID 126520592
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606
N-[[4-(3-methoxyphenoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250914

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine?
The IUPAC name of 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine (CID 115824632) is 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine.
What is the SMILES notation for 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine?
The canonical SMILES for 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine is COc1cccc(-c2ccncc2CBr)c1.
What is the InChIKey of 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine?
The InChIKey is PEPICHOIOHOLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO/c1-16-12-4-2-3-10(7-12)13-5-6-15-9-11(13)8-14/h2-7,9H,8H2,1H3.
What are the key properties of 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine?
3-(bromomethyl)-4-(3-methoxyphenyl)pyridine has a molecular weight of 278.15 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(3-methoxyphenyl)pyridine is sourced from PubChem (CID 115824632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).