4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride

C16H15Cl2NO — CID 44523133

IUPAC4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride
SMILESCC1(C)C=C(c2ccncc2)c2cc(Cl)ccc2O1.Cl
InChIInChI=1S/C16H14ClNO.ClH/c1-16(2)10-14(11-5-7-18-8-6-11)13-9-12(17)3-4-15(13)19-16;/h3-10H,1-2H3;1H
InChIKeyKUJANOWLXLYIKQ-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.76
Rot. Bonds1

About 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride

4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride (PubChem CID 44523133) has the molecular formula C16H15Cl2NO and a molecular weight of 308.21 g/mol. Its IUPAC name is 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride
PubChem CID44523133
Molecular FormulaC16H15Cl2NO
Molecular Weight308.21 g/mol
Exact Mass307.05
IUPAC Name4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride
SMILESCC1(C)C=C(c2ccncc2)c2cc(Cl)ccc2O1.Cl
InChIInChI=1S/C16H14ClNO.ClH/c1-16(2)10-14(11-5-7-18-8-6-11)13-9-12(17)3-4-15(13)19-16;/h3-10H,1-2H3;1H
InChIKeyKUJANOWLXLYIKQ-UHFFFAOYSA-N
XLogP4.76
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride?
The IUPAC name of 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride (CID 44523133) is 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride.
What is the SMILES notation for 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride?
The canonical SMILES for 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride is CC1(C)C=C(c2ccncc2)c2cc(Cl)ccc2O1.Cl.
What is the InChIKey of 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride?
The InChIKey is KUJANOWLXLYIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO.ClH/c1-16(2)10-14(11-5-7-18-8-6-11)13-9-12(17)3-4-15(13)19-16;/h3-10H,1-2H3;1H.
What are the key properties of 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride?
4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride has a molecular weight of 308.21 g/mol, XLogP of 4.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,2-dimethylchromen-4-yl)pyridine;hydrochloride is sourced from PubChem (CID 44523133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).