4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole

C14H13ClN2 — CID 5042102

IUPAC4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(Cl)c2c1NC(c1ccccn1)C2
InChIInChI=1S/C14H13ClN2/c1-9-5-6-11(15)10-8-13(17-14(9)10)12-4-2-3-7-16-12/h2-7,13,17H,8H2,1H3
InChIKeyVDJZBHBVZOVRSH-UHFFFAOYSA-N
MW244.73 g/mol
LogP3.75
Rot. Bonds1

About 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole

4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole (PubChem CID 5042102) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
PubChem CID5042102
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole
SMILESCc1ccc(Cl)c2c1NC(c1ccccn1)C2
InChIInChI=1S/C14H13ClN2/c1-9-5-6-11(15)10-8-13(17-14(9)10)12-4-2-3-7-16-12/h2-7,13,17H,8H2,1H3
InChIKeyVDJZBHBVZOVRSH-UHFFFAOYSA-N
XLogP3.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The IUPAC name of 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole (CID 5042102) is 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The canonical SMILES for 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole is Cc1ccc(Cl)c2c1NC(c1ccccn1)C2.
What is the InChIKey of 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
The InChIKey is VDJZBHBVZOVRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2/c1-9-5-6-11(15)10-8-13(17-14(9)10)12-4-2-3-7-16-12/h2-7,13,17H,8H2,1H3.
What are the key properties of 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole?
4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole has a molecular weight of 244.73 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-2-pyridin-2-yl-2,3-dihydro-1H-indole is sourced from PubChem (CID 5042102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).