(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate

C15H11ClN2O2 — CID 156907343

IUPAC(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate
SMILESCc1c[nH]c2cccc(C(=O)Oc3cncc(Cl)c3)c12
InChIInChI=1S/C15H11ClN2O2/c1-9-6-18-13-4-2-3-12(14(9)13)15(19)20-11-5-10(16)7-17-8-11/h2-8,18H,1H3
InChIKeyHTGWNSJHOKFSEN-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.74
Rot. Bonds2

About (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate

(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate (PubChem CID 156907343) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate
PubChem CID156907343
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate
SMILESCc1c[nH]c2cccc(C(=O)Oc3cncc(Cl)c3)c12
InChIInChI=1S/C15H11ClN2O2/c1-9-6-18-13-4-2-3-12(14(9)13)15(19)20-11-5-10(16)7-17-8-11/h2-8,18H,1H3
InChIKeyHTGWNSJHOKFSEN-UHFFFAOYSA-N
XLogP3.74
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
3-methyl-1H-indole-4-carboxylate
CID 51777087
(5-chloro-3-pyridinyl) 3-methyl-4-propan-2-ylbenzoate
CID 145367175
ethyl 2-amino-3-[(5-chloro-3-pyridinyl)oxy]benzoate
CID 115547310
(5-chloro-3-pyridinyl) 6-methyl-2-oxochromene-3-carboxylate
CID 10829157
(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
(4-chloro-3-methyl-1H-indol-5-yl) hydrogen carbonate
CID 122668432
(5-chloro-3-pyridinyl) 4-pyridin-3-ylbenzoate
CID 177378862
methyl 3-(3-fluoro-4-methylbenzoyl)-1H-indole-4-carboxylate
CID 18993213
pyridin-3-yl 9H-pyrido[2,3-b]indole-5-carboxylate
CID 11644959
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate (CID 156907343) is (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate is Cc1c[nH]c2cccc(C(=O)Oc3cncc(Cl)c3)c12.
What is the InChIKey of (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate?
The InChIKey is HTGWNSJHOKFSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-6-18-13-4-2-3-12(14(9)13)15(19)20-11-5-10(16)7-17-8-11/h2-8,18H,1H3.
What are the key properties of (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate?
(5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate has a molecular weight of 286.72 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-pyridinyl) 3-methyl-1H-indole-4-carboxylate is sourced from PubChem (CID 156907343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).