[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol

C15H13ClN2O — CID 102912875

IUPAC[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccncc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-14-8-17-5-3-13(14)9-18-6-4-12-7-11(10-19)1-2-15(12)18/h1-8,19H,9-10H2
InChIKeyDLLUFMMCHBJHRL-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.23
Rot. Bonds3

About [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol

[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol (PubChem CID 102912875) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
PubChem CID102912875
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol
SMILESOCc1ccc2c(ccn2Cc2ccncc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c16-14-8-17-5-3-13(14)9-18-6-4-12-7-11(10-19)1-2-15(12)18/h1-8,19H,9-10H2
InChIKeyDLLUFMMCHBJHRL-UHFFFAOYSA-N
XLogP3.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,4-dichlorophenyl)methyl]indol-5-yl]methanol
CID 102912858
2-[1-[(3-chloro-4-pyridinyl)methyl]indol-6-yl]ethanamine
CID 102917723
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]indol-5-yl]methanol
CID 102912413
[1-[(3-chloro-4-pyridinyl)methyl]indol-7-yl]methanol
CID 102912293
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
[1-[(5-methyl-3-pyridinyl)methyl]indol-5-yl]methanol
CID 102912773
[1-[(2,5-difluorophenyl)methyl]indol-5-yl]methanol
CID 102912443
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzonitrile
CID 102912614
[1-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]indol-5-yl]methanol
CID 102912844
[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912836
[1-[(3-propylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912438

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol?
The IUPAC name of [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol (CID 102912875) is [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol?
The canonical SMILES for [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol is OCc1ccc2c(ccn2Cc2ccncc2Cl)c1.
What is the InChIKey of [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol?
The InChIKey is DLLUFMMCHBJHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c16-14-8-17-5-3-13(14)9-18-6-4-12-7-11(10-19)1-2-15(12)18/h1-8,19H,9-10H2.
What are the key properties of [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol?
[1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol has a molecular weight of 272.74 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-pyridinyl)methyl]indol-5-yl]methanol is sourced from PubChem (CID 102912875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).