2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine

C16H16ClNO — CID 19895591

IUPAC2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
SMILESCC1(C)CC(c2ccccn2)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H16ClNO/c1-16(2)10-13(14-5-3-4-8-18-14)12-9-11(17)6-7-15(12)19-16/h3-9,13H,10H2,1-2H3
InChIKeyACZYEOATKYAGCU-UHFFFAOYSA-N
MW273.76 g/mol
LogP4.43
Rot. Bonds1

About 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine

2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine (PubChem CID 19895591) has the molecular formula C16H16ClNO and a molecular weight of 273.76 g/mol. Its IUPAC name is 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine.

Molecular Properties

Compound Name2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
PubChem CID19895591
Molecular FormulaC16H16ClNO
Molecular Weight273.76 g/mol
Exact Mass273.09
IUPAC Name2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
SMILESCC1(C)CC(c2ccccn2)c2cc(Cl)ccc2O1
InChIInChI=1S/C16H16ClNO/c1-16(2)10-13(14-5-3-4-8-18-14)12-9-11(17)6-7-15(12)19-16/h3-9,13H,10H2,1-2H3
InChIKeyACZYEOATKYAGCU-UHFFFAOYSA-N
XLogP4.43
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.76
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine
CID 19895611
2-(2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl)-3-methylpyridine
CID 19895665
7-chloro-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 54509971
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-propan-2-ylurea
CID 11403735
1-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-ethylurea
CID 11208334
(4'S)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104948911
(4'R)-6'-chlorospiro[1,3-dihydroindene-2,2'-3,4-dihydrochromene]-4'-ol
CID 104949139
2-chloro-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-methylpyridin-3-amine
CID 81141496
2-(4-chloro-2-fluorophenyl)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133158321
1-(3-methyl-2-pyridinyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133215890
6-chloro-1',1'-dimethylspiro[3,4-dihydrochromene-2,4'-cyclohexane]-4-ol
CID 114714557
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The IUPAC name of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine (CID 19895591) is 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine.
What is the SMILES notation for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The canonical SMILES for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine is CC1(C)CC(c2ccccn2)c2cc(Cl)ccc2O1.
What is the InChIKey of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
The InChIKey is ACZYEOATKYAGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO/c1-16(2)10-13(14-5-3-4-8-18-14)12-9-11(17)6-7-15(12)19-16/h3-9,13H,10H2,1-2H3.
What are the key properties of 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine?
2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine has a molecular weight of 273.76 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine is sourced from PubChem (CID 19895591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).