6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine

C14H13BrClNO — CID 82831791

IUPAC6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
SMILESCc1nc(OCc2cccc(Br)c2)ccc1CCl
InChIInChI=1S/C14H13BrClNO/c1-10-12(8-16)5-6-14(17-10)18-9-11-3-2-4-13(15)7-11/h2-7H,8-9H2,1H3
InChIKeyQRKMSHNJJFKXKR-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.47
Rot. Bonds4

About 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine

6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine (PubChem CID 82831791) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
PubChem CID82831791
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC Name6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine
SMILESCc1nc(OCc2cccc(Br)c2)ccc1CCl
InChIInChI=1S/C14H13BrClNO/c1-10-12(8-16)5-6-14(17-10)18-9-11-3-2-4-13(15)7-11/h2-7H,8-9H2,1H3
InChIKeyQRKMSHNJJFKXKR-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.47
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

[6-[(3-bromophenyl)methoxy]-2-methyl-3-pyridinyl]methanol
CID 82832022
2-[(3-bromophenyl)methoxy]-3-chloro-5,6-dimethylpyrazine
CID 82824481
2-[(3-bromophenyl)methoxy]-4-(chloromethyl)-6-methylpyrimidine
CID 114220097
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567
(2-methyl-6-phenylmethoxy-3-pyridinyl)methanamine
CID 79885210
1-[(3-bromophenyl)methoxy]-4-(chloromethyl)isoquinoline
CID 106769651
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
CID 83270095
2-(2-methyl-6-phenylmethoxy-3-pyridinyl)ethanol
CID 102546176
4-[(3-bromophenyl)methoxy]-N-ethyl-6-methylpyrimidin-2-amine
CID 82826004
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine (CID 82831791) is 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine is Cc1nc(OCc2cccc(Br)c2)ccc1CCl.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine?
The InChIKey is QRKMSHNJJFKXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c1-10-12(8-16)5-6-14(17-10)18-9-11-3-2-4-13(15)7-11/h2-7H,8-9H2,1H3.
What are the key properties of 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine?
6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine has a molecular weight of 326.62 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methoxy]-3-(chloromethyl)-2-methylpyridine is sourced from PubChem (CID 82831791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).