2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine

C16H13ClN2 — CID 141409336

IUPAC2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine
SMILESClc1ccc(-c2ccccc2)n1Cc1ccccn1
InChIInChI=1S/C16H13ClN2/c17-16-10-9-15(13-6-2-1-3-7-13)19(16)12-14-8-4-5-11-18-14/h1-11H,12H2
InChIKeyVWLGHYSNXVTGBD-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.25
Rot. Bonds3

About 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine

2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine (PubChem CID 141409336) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine
PubChem CID141409336
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC Name2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine
SMILESClc1ccc(-c2ccccc2)n1Cc1ccccn1
InChIInChI=1S/C16H13ClN2/c17-16-10-9-15(13-6-2-1-3-7-13)19(16)12-14-8-4-5-11-18-14/h1-11H,12H2
InChIKeyVWLGHYSNXVTGBD-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-phenyltetrazol-2-yl)methyl]pyridine
CID 134010962
2-[(3-phenylpyrazol-1-yl)methyl]pyridine
CID 118497014
5-chloro-2-iodo-3-(pyridin-2-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 122462436
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 1089007
5,11-bis(pyridin-2-ylmethyl)indolo[3,2-b]carbazole
CID 102503171
5-chloro-2-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 24904003
4-chloro-2-(chloromethyl)-1-(pyridin-2-ylmethyl)benzimidazole
CID 104837373
1-benzyl-3-(pyridin-2-ylmethyl)imidazo[4,5-c]pyridin-2-one
CID 75509159
2-phenyl-1-(pyridin-2-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-4-thione
CID 940591
3-chloro-5-(pyridin-2-ylmethyl)imidazo[1,5-a]quinoxalin-4-one
CID 171351342
2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
2-(4-methoxyphenyl)-3-(pyridin-2-ylmethyl)pyrimidin-4-one
CID 155932622

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine?
The IUPAC name of 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine (CID 141409336) is 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine.
What is the SMILES notation for 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine?
The canonical SMILES for 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine is Clc1ccc(-c2ccccc2)n1Cc1ccccn1.
What is the InChIKey of 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine?
The InChIKey is VWLGHYSNXVTGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-16-10-9-15(13-6-2-1-3-7-13)19(16)12-14-8-4-5-11-18-14/h1-11H,12H2.
What are the key properties of 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine?
2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine has a molecular weight of 268.75 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-phenylpyrrol-1-yl)methyl]pyridine is sourced from PubChem (CID 141409336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).