1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol

C16H16ClNO2 — CID 175270286

IUPAC1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCOc1cc(-c2ccnc(C3(O)CCC3)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-20-14-9-11(3-4-13(14)17)12-5-8-18-15(10-12)16(19)6-2-7-16/h3-5,8-10,19H,2,6-7H2,1H3
InChIKeyKTCUOQOMWNBRCT-UHFFFAOYSA-N
MW289.76 g/mol
LogP3.78
Rot. Bonds3

About 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol

1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol (PubChem CID 175270286) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol
PubChem CID175270286
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol
SMILESCOc1cc(-c2ccnc(C3(O)CCC3)c2)ccc1Cl
InChIInChI=1S/C16H16ClNO2/c1-20-14-9-11(3-4-13(14)17)12-5-8-18-15(10-12)16(19)6-2-7-16/h3-5,8-10,19H,2,6-7H2,1H3
InChIKeyKTCUOQOMWNBRCT-UHFFFAOYSA-N
XLogP3.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol?
The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol (CID 175270286) is 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol?
The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol is COc1cc(-c2ccnc(C3(O)CCC3)c2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol?
The InChIKey is KTCUOQOMWNBRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-20-14-9-11(3-4-13(14)17)12-5-8-18-15(10-12)16(19)6-2-7-16/h3-5,8-10,19H,2,6-7H2,1H3.
What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol?
1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol has a molecular weight of 289.76 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methoxyphenyl)-2-pyridinyl]cyclobutan-1-ol is sourced from PubChem (CID 175270286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).