(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone

C14H13ClN2O — CID 112535615

IUPAC(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1ccc2c1CCNC2
InChIInChI=1S/C14H13ClN2O/c15-12-4-2-1-3-11(12)14(18)17-8-6-10-9-16-7-5-13(10)17/h1-4,6,8,16H,5,7,9H2
InChIKeyIEOWLIAKUFYXDL-UHFFFAOYSA-N
MW260.72 g/mol
LogP2.48
Rot. Bonds1

About (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone

(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone (PubChem CID 112535615) has the molecular formula C14H13ClN2O and a molecular weight of 260.72 g/mol. Its IUPAC name is (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
PubChem CID112535615
Molecular FormulaC14H13ClN2O
Molecular Weight260.72 g/mol
Exact Mass260.07
IUPAC Name(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESO=C(c1ccccc1Cl)n1ccc2c1CCNC2
InChIInChI=1S/C14H13ClN2O/c15-12-4-2-1-3-11(12)14(18)17-8-6-10-9-16-7-5-13(10)17/h1-4,6,8,16H,5,7,9H2
InChIKeyIEOWLIAKUFYXDL-UHFFFAOYSA-N
XLogP2.48
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone
CID 112535650
2-(3-chlorophenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535630
2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535634
(2-chlorophenyl)-pyrrol-1-ylmethanone
CID 10987413
2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535636
3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535701
1-(2-chlorobenzoyl)piperidin-4-one
CID 24693065
(2-chlorophenyl)-(1,4-diazepan-1-yl)methanone
CID 16777333
(2-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 110472967
(2-chlorophenyl)-(2-sulfanylideneimidazolidin-1-yl)methanone
CID 164575548
3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535703
(2-chlorophenyl)-[3-(1,2,3,6-tetrahydropyridin-4-yl)pyrrolo[3,2-b]pyridin-1-yl]methanone
CID 112535017

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The IUPAC name of (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone (CID 112535615) is (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone.
What is the SMILES notation for (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The canonical SMILES for (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone is O=C(c1ccccc1Cl)n1ccc2c1CCNC2.
What is the InChIKey of (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The InChIKey is IEOWLIAKUFYXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O/c15-12-4-2-1-3-11(12)14(18)17-8-6-10-9-16-7-5-13(10)17/h1-4,6,8,16H,5,7,9H2.
What are the key properties of (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone?
(2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone has a molecular weight of 260.72 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)methanone is sourced from PubChem (CID 112535615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).