4-chloro-1-(pyridin-2-ylmethyl)indole

C14H11ClN2 — CID 116623601

IUPAC4-chloro-1-(pyridin-2-ylmethyl)indole
SMILESClc1cccc2c1ccn2Cc1ccccn1
InChIInChI=1S/C14H11ClN2/c15-13-5-3-6-14-12(13)7-9-17(14)10-11-4-1-2-8-16-11/h1-9H,10H2
InChIKeyYGQYMBLEBLBDBY-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.74
Rot. Bonds2

About 4-chloro-1-(pyridin-2-ylmethyl)indole

4-chloro-1-(pyridin-2-ylmethyl)indole (PubChem CID 116623601) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-1-(pyridin-2-ylmethyl)indole.

Molecular Properties

Compound Name4-chloro-1-(pyridin-2-ylmethyl)indole
PubChem CID116623601
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name4-chloro-1-(pyridin-2-ylmethyl)indole
SMILESClc1cccc2c1ccn2Cc1ccccn1
InChIInChI=1S/C14H11ClN2/c15-13-5-3-6-14-12(13)7-9-17(14)10-11-4-1-2-8-16-11/h1-9H,10H2
InChIKeyYGQYMBLEBLBDBY-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-4-chloroindole
CID 116623535
4-ethoxy-1-(pyridin-2-ylmethyl)indole
CID 83174156
4,6-dichloro-1-(pyridin-2-ylmethyl)pyrrolo[3,2-c]pyridine
CID 172634697
4-chloro-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indole
CID 116623519
5-[(4-chloroindol-1-yl)methyl]-1,2-oxazole
CID 116623604
4-[(4-chloroindol-1-yl)methyl]-2-propyl-1,3-thiazole
CID 116623853
7-(pyridin-2-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531949
4-chloro-1-(furan-3-ylmethyl)indole
CID 116623869
4-chloro-1-(2,3-dihydro-1H-imidazol-4-ylmethyl)indole
CID 69203960
4-chloro-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]indole
CID 116623800
4-chloro-1-[2-(1-methylimidazol-2-yl)ethyl]indole
CID 114531927
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(pyridin-2-ylmethyl)indole?
The IUPAC name of 4-chloro-1-(pyridin-2-ylmethyl)indole (CID 116623601) is 4-chloro-1-(pyridin-2-ylmethyl)indole.
What is the SMILES notation for 4-chloro-1-(pyridin-2-ylmethyl)indole?
The canonical SMILES for 4-chloro-1-(pyridin-2-ylmethyl)indole is Clc1cccc2c1ccn2Cc1ccccn1.
What is the InChIKey of 4-chloro-1-(pyridin-2-ylmethyl)indole?
The InChIKey is YGQYMBLEBLBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c15-13-5-3-6-14-12(13)7-9-17(14)10-11-4-1-2-8-16-11/h1-9H,10H2.
What are the key properties of 4-chloro-1-(pyridin-2-ylmethyl)indole?
4-chloro-1-(pyridin-2-ylmethyl)indole has a molecular weight of 242.71 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(pyridin-2-ylmethyl)indole is sourced from PubChem (CID 116623601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).