3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride

C17H17ClN2O2 — CID 70490518

IUPAC3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
SMILESCc1c(-c2cccnc2)[nH]c2ccc(CCC(=O)O)cc12.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-14-9-12(5-7-16(20)21)4-6-15(14)19-17(11)13-3-2-8-18-10-13;/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21);1H
InChIKeyYYKOHMAGBOBMAK-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.98
Rot. Bonds4

About 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride

3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride (PubChem CID 70490518) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
PubChem CID70490518
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride
SMILESCc1c(-c2cccnc2)[nH]c2ccc(CCC(=O)O)cc12.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-14-9-12(5-7-16(20)21)4-6-15(14)19-17(11)13-3-2-8-18-10-13;/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21);1H
InChIKeyYYKOHMAGBOBMAK-UHFFFAOYSA-N
XLogP3.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride (CID 70490518) is 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride is Cc1c(-c2cccnc2)[nH]c2ccc(CCC(=O)O)cc12.Cl.
What is the InChIKey of 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride?
The InChIKey is YYKOHMAGBOBMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-11-14-9-12(5-7-16(20)21)4-6-15(14)19-17(11)13-3-2-8-18-10-13;/h2-4,6,8-10,19H,5,7H2,1H3,(H,20,21);1H.
What are the key properties of 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride?
3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-pyridin-3-yl-1H-indol-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 70490518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).