3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine

C15H16ClNO — CID 22958392

IUPAC3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine
SMILESCc1ncc(C(C)OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO/c1-11-15(16)8-14(9-17-11)12(2)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3
InChIKeyKIRYNMVKTABGPV-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.32
Rot. Bonds4

About 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine

3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine (PubChem CID 22958392) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine
PubChem CID22958392
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine
SMILESCc1ncc(C(C)OCc2ccccc2)cc1Cl
InChIInChI=1S/C15H16ClNO/c1-11-15(16)8-14(9-17-11)12(2)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3
InChIKeyKIRYNMVKTABGPV-UHFFFAOYSA-N
XLogP4.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2-methyl-5-phenylmethoxypyridine
CID 67611027
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
CID 172959408
3-chlorobenzenecarboperoxoic acid;3-chloro-2-methylsulfanyl-5-(1-phenylmethoxyethyl)pyridine;[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl] methanesulfinate;dichloromethane
CID 158259950
2-methyl-6-(1-phenylmethoxyethyl)-1H-benzimidazole
CID 59857344
1-(4-chlorobutoxy)-3-(1-phenylmethoxyethyl)benzene
CID 18754193
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706
1,3-dichloropropan-2-yloxymethylbenzene
CID 5155009
benzyl (2R)-2-(5-ethyl-6-methyl-3-pyridinyl)propanoate
CID 170008237
1-(3-chloro-5-fluoro-4-phenylmethoxyphenyl)ethanamine
CID 117448854
4-(1-phenylmethoxyethyl)benzoic acid
CID 174549407

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine?
The IUPAC name of 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine (CID 22958392) is 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine.
What is the SMILES notation for 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine?
The canonical SMILES for 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine is Cc1ncc(C(C)OCc2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine?
The InChIKey is KIRYNMVKTABGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-11-15(16)8-14(9-17-11)12(2)18-10-13-6-4-3-5-7-13/h3-9,12H,10H2,1-2H3.
What are the key properties of 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine?
3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine has a molecular weight of 261.75 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-5-(1-phenylmethoxyethyl)pyridine is sourced from PubChem (CID 22958392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).