1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

C15H14FN5O — CID 111629979

IUPAC1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESCc1cc(F)ccc1C(O)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C15H14FN5O/c1-10-7-12(16)4-5-13(10)14(22)9-21-19-15(18-20-21)11-3-2-6-17-8-11/h2-8,14,22H,9H2,1H3
InChIKeyDQWQJBDDJNQJNV-UHFFFAOYSA-N
MW299.31 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol

1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (PubChem CID 111629979) has the molecular formula C15H14FN5O and a molecular weight of 299.31 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
PubChem CID111629979
Molecular FormulaC15H14FN5O
Molecular Weight299.31 g/mol
Exact Mass299.12
IUPAC Name1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol
SMILESCc1cc(F)ccc1C(O)Cn1nnc(-c2cccnc2)n1
InChIInChI=1S/C15H14FN5O/c1-10-7-12(16)4-5-13(10)14(22)9-21-19-15(18-20-21)11-3-2-6-17-8-11/h2-8,14,22H,9H2,1H3
InChIKeyDQWQJBDDJNQJNV-UHFFFAOYSA-N
XLogP1.92
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol (CID 111629979) is 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is Cc1cc(F)ccc1C(O)Cn1nnc(-c2cccnc2)n1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
The InChIKey is DQWQJBDDJNQJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5O/c1-10-7-12(16)4-5-13(10)14(22)9-21-19-15(18-20-21)11-3-2-6-17-8-11/h2-8,14,22H,9H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol?
1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol has a molecular weight of 299.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-2-(5-pyridin-3-yltetrazol-2-yl)ethanol is sourced from PubChem (CID 111629979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).