(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

C18H15ClN2O2 — CID 162533822

IUPAC(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H15ClN2O2/c19-12-8-13(10-20-9-12)23-18(22)11-5-6-17-15(7-11)14-3-1-2-4-16(14)21-17/h5-10,21H,1-4H2
InChIKeyKNFSNAVOLGYYTP-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.31
Rot. Bonds2

About (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (PubChem CID 162533822) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Name(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
PubChem CID162533822
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
SMILESO=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C18H15ClN2O2/c19-12-8-13(10-20-9-12)23-18(22)11-5-6-17-15(7-11)14-3-1-2-4-16(14)21-17/h5-10,21H,1-4H2
InChIKeyKNFSNAVOLGYYTP-UHFFFAOYSA-N
XLogP4.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The IUPAC name of (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate (CID 162533822) is (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The canonical SMILES for (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is O=C(Oc1cncc(Cl)c1)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
The InChIKey is KNFSNAVOLGYYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-12-8-13(10-20-9-12)23-18(22)11-5-6-17-15(7-11)14-3-1-2-4-16(14)21-17/h5-10,21H,1-4H2.
What are the key properties of (5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate?
(5-chloro-3-pyridinyl) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate has a molecular weight of 326.78 g/mol, XLogP of 4.31, 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) 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 162533822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).