2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile

C15H10ClNO — CID 154116383

IUPAC2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile
SMILESN#CC1(CO)c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H10ClNO/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17,9-18)14(12)7-10/h1-7,18H,9H2
InChIKeyAWNHRDJIWVACQT-UHFFFAOYSA-N
MW255.70 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile

2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile (PubChem CID 154116383) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile.

Molecular Properties

Compound Name2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile
PubChem CID154116383
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile
SMILESN#CC1(CO)c2ccccc2-c2ccc(Cl)cc21
InChIInChI=1S/C15H10ClNO/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17,9-18)14(12)7-10/h1-7,18H,9H2
InChIKeyAWNHRDJIWVACQT-UHFFFAOYSA-N
XLogP3.12
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile?
The IUPAC name of 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile (CID 154116383) is 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile.
What is the SMILES notation for 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile?
The canonical SMILES for 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile is N#CC1(CO)c2ccccc2-c2ccc(Cl)cc21.
What is the InChIKey of 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile?
The InChIKey is AWNHRDJIWVACQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-10-5-6-12-11-3-1-2-4-13(11)15(8-17,9-18)14(12)7-10/h1-7,18H,9H2.
What are the key properties of 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile?
2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile has a molecular weight of 255.70 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-(hydroxymethyl)fluorene-9-carbonitrile is sourced from PubChem (CID 154116383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).