1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole

C16H15ClN2 — CID 116618712

IUPAC1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3ccncc3Cl)c12
InChIInChI=1S/C16H15ClN2/c1-2-12-4-3-5-13-7-9-19(16(12)13)11-14-6-8-18-10-15(14)17/h3-10H,2,11H2,1H3
InChIKeyYYZAACWMACDEMJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.30
Rot. Bonds3

About 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole

1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole (PubChem CID 116618712) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole.

Molecular Properties

Compound Name1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
PubChem CID116618712
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole
SMILESCCc1cccc2ccn(Cc3ccncc3Cl)c12
InChIInChI=1S/C16H15ClN2/c1-2-12-4-3-5-13-7-9-19(16(12)13)11-14-6-8-18-10-15(14)17/h3-10H,2,11H2,1H3
InChIKeyYYZAACWMACDEMJ-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
CID 102912293
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
4-chloro-3-[(7-ethylindol-1-yl)methyl]aniline
CID 43169098
1-[(2-bromophenyl)methyl]-7-ethylindole
CID 116618984
7-ethyl-1-[(6-methoxy-2-pyridinyl)methyl]indole
CID 116618872
7-ethyl-1-[(1-methyltriazol-4-yl)methyl]indole
CID 107054395
5-bromo-2-[(7-ethylindol-1-yl)methyl]aniline
CID 114380529
7-ethyl-1-prop-2-ynylindole
CID 116618856
1-(2,2-difluoroethyl)-7-ethylindole
CID 116618758
2-(7-ethylindol-1-yl)acetic acid
CID 28602716
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
CID 102912875
4-[(7-ethylindol-1-yl)methyl]-5-methylfuran-2-carboxylic acid
CID 62273625

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole?
The IUPAC name of 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole (CID 116618712) is 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole.
What is the SMILES notation for 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole?
The canonical SMILES for 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole is CCc1cccc2ccn(Cc3ccncc3Cl)c12.
What is the InChIKey of 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole?
The InChIKey is YYZAACWMACDEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-2-12-4-3-5-13-7-9-19(16(12)13)11-14-6-8-18-10-15(14)17/h3-10H,2,11H2,1H3.
What are the key properties of 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole?
1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole has a molecular weight of 270.76 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-pyridinyl)methyl]-7-ethylindole is sourced from PubChem (CID 116618712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).