6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole

C12H10ClN3 — CID 175896930

IUPAC6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole
SMILESClc1ccc2c(c1)N(c1ncccn1)CC2
InChIInChI=1S/C12H10ClN3/c13-10-3-2-9-4-7-16(11(9)8-10)12-14-5-1-6-15-12/h1-3,5-6,8H,4,7H2
InChIKeyHIEYWTYKCMMTTJ-UHFFFAOYSA-N
MW231.69 g/mol
LogP2.82
Rot. Bonds1

About 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole

6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole (PubChem CID 175896930) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole
PubChem CID175896930
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole
SMILESClc1ccc2c(c1)N(c1ncccn1)CC2
InChIInChI=1S/C12H10ClN3/c13-10-3-2-9-4-7-16(11(9)8-10)12-14-5-1-6-15-12/h1-3,5-6,8H,4,7H2
InChIKeyHIEYWTYKCMMTTJ-UHFFFAOYSA-N
XLogP2.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-2,3-dihydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 18473274
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
CID 18932855
4-(6-chloro-2,3-dihydroindol-1-yl)quinazolin-6-amine;hydrochloride
CID 18932794
N-[2-(4-chlorophenyl)ethyl]-2-(2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112897064
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 103493914
[4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanol
CID 103498387
6-chloro-2,3-dihydroindole-1-carbonyl chloride
CID 139548954
2-(6-chloro-2,3-dihydroindol-1-yl)ethanamine
CID 10198073
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
N-(3,5-dichlorophenyl)sulfanyl-1-pyrimidin-2-yl-2,3-dihydroindol-4-amine
CID 89248882
3-[1-(2,4-dichlorophenyl)-2,3-dihydroindol-6-yl]benzoic acid
CID 67059831
N-[2-(2,4-dichlorophenyl)ethyl]-4-(2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112901514

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole?
The IUPAC name of 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole (CID 175896930) is 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole.
What is the SMILES notation for 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole?
The canonical SMILES for 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole is Clc1ccc2c(c1)N(c1ncccn1)CC2.
What is the InChIKey of 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole?
The InChIKey is HIEYWTYKCMMTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-10-3-2-9-4-7-16(11(9)8-10)12-14-5-1-6-15-12/h1-3,5-6,8H,4,7H2.
What are the key properties of 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole?
6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole has a molecular weight of 231.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-pyrimidin-2-yl-2,3-dihydroindole is sourced from PubChem (CID 175896930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).