[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol

C14H15ClN2O2 — CID 61258005

IUPAC[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
SMILESOCc1nc(OCCCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H15ClN2O2/c15-12-3-4-14(17-13(12)10-18)19-9-1-2-11-5-7-16-8-6-11/h3-8,18H,1-2,9-10H2
InChIKeyIYERSKZGKJNWKK-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.63
Rot. Bonds6

About [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol

[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol (PubChem CID 61258005) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
PubChem CID61258005
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol
SMILESOCc1nc(OCCCc2ccncc2)ccc1Cl
InChIInChI=1S/C14H15ClN2O2/c15-12-3-4-14(17-13(12)10-18)19-9-1-2-11-5-7-16-8-6-11/h3-8,18H,1-2,9-10H2
InChIKeyIYERSKZGKJNWKK-UHFFFAOYSA-N
XLogP2.63
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[5-chloro-6-(hydroxymethyl)-2-pyridinyl]oxy]propan-1-ol
CID 61255295
[3-chloro-6-(2-methoxyethoxy)-2-pyridinyl]methanol
CID 61257163
[3-chloro-6-[3-(2-methoxyethoxy)propoxy]-2-pyridinyl]methanol
CID 103403961
[3-chloro-6-[(4-chlorophenyl)methoxy]-2-pyridinyl]methanol
CID 65126484
(3-chloro-6-methoxy-2-pyridinyl)methanol
CID 51341990
[3-chloro-6-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methanol
CID 61256973
3,5-dichloro-4-(3-pyridin-4-ylpropoxy)phenol
CID 18504590
3-chloro-4-(3-pyridin-4-ylpropoxy)aniline
CID 29006391
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
CID 61255835
[2-chloro-6-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 114320498
3-chloro-4-(3-pyridin-4-ylpropoxy)benzenecarbothioamide
CID 63087479
6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 115321102

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol (CID 61258005) is [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol is OCc1nc(OCCCc2ccncc2)ccc1Cl.
What is the InChIKey of [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol?
The InChIKey is IYERSKZGKJNWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-3-4-14(17-13(12)10-18)19-9-1-2-11-5-7-16-8-6-11/h3-8,18H,1-2,9-10H2.
What are the key properties of [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol?
[3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol has a molecular weight of 278.74 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3-pyridin-4-ylpropoxy)-2-pyridinyl]methanol is sourced from PubChem (CID 61258005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).