[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol

C11H9ClN2O2 — CID 81239132

IUPAC[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1cncc(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-10(6-14-5-9)16-11-1-2-13-4-8(11)7-15/h1-6,15H,7H2
InChIKeyBSTCVCSEDQSXTK-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.41
Rot. Bonds3

About [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol

[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol (PubChem CID 81239132) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
PubChem CID81239132
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC Name[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol
SMILESOCc1cnccc1Oc1cncc(Cl)c1
InChIInChI=1S/C11H9ClN2O2/c12-9-3-10(6-14-5-9)16-11-1-2-13-4-8(11)7-15/h1-6,15H,7H2
InChIKeyBSTCVCSEDQSXTK-UHFFFAOYSA-N
XLogP2.41
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,5-dichlorophenoxy)-3-pyridinyl]methanol
CID 81237951
(4-phenoxy-3-pyridinyl)methanol
CID 67434840
N-[[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methyl]propan-1-amine
CID 81250184
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
3,5-bis[(5-chloro-3-pyridinyl)oxy]pyridine
CID 102468102
[3-(3,4-dichlorophenoxy)-4-pyridinyl]methanol
CID 105067098
[4-[3-bromo-4-(trifluoromethoxy)phenoxy]-3-pyridinyl]methanol
CID 102714933
[4-(2-iodophenoxy)-3-pyridinyl]methanol
CID 81237584
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114857454
N-[[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 114857447
N-[[2-[(5-chloro-3-pyridinyl)oxy]phenyl]methyl]cyclopropanamine
CID 64600037

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol?
The IUPAC name of [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol (CID 81239132) is [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol?
The canonical SMILES for [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol is OCc1cnccc1Oc1cncc(Cl)c1.
What is the InChIKey of [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol?
The InChIKey is BSTCVCSEDQSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-9-3-10(6-14-5-9)16-11-1-2-13-4-8(11)7-15/h1-6,15H,7H2.
What are the key properties of [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol?
[4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol has a molecular weight of 236.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]methanol is sourced from PubChem (CID 81239132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).