[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol

C19H15ClN2O — CID 71661076

IUPAC[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol
SMILESOCc1ccc2c(c1)c1ccccc1n2Cc1ccc(Cl)nc1
InChIInChI=1S/C19H15ClN2O/c20-19-8-6-14(10-21-19)11-22-17-4-2-1-3-15(17)16-9-13(12-23)5-7-18(16)22/h1-10,23H,11-12H2
InChIKeyUNEVWBNGOPIKIP-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.38
Rot. Bonds3

About [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol

[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol (PubChem CID 71661076) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol.

Molecular Properties

Compound Name[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol
PubChem CID71661076
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol
SMILESOCc1ccc2c(c1)c1ccccc1n2Cc1ccc(Cl)nc1
InChIInChI=1S/C19H15ClN2O/c20-19-8-6-14(10-21-19)11-22-17-4-2-1-3-15(17)16-9-13(12-23)5-7-18(16)22/h1-10,23H,11-12H2
InChIKeyUNEVWBNGOPIKIP-UHFFFAOYSA-N
XLogP4.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol?
The IUPAC name of [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol (CID 71661076) is [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol.
What is the SMILES notation for [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol?
The canonical SMILES for [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol is OCc1ccc2c(c1)c1ccccc1n2Cc1ccc(Cl)nc1.
What is the InChIKey of [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol?
The InChIKey is UNEVWBNGOPIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O/c20-19-8-6-14(10-21-19)11-22-17-4-2-1-3-15(17)16-9-13(12-23)5-7-18(16)22/h1-10,23H,11-12H2.
What are the key properties of [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol?
[9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol has a molecular weight of 322.80 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(6-chloro-3-pyridinyl)methyl]carbazol-3-yl]methanol is sourced from PubChem (CID 71661076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).