1-(4-methoxy-3-pyridinyl)propane-1,2-diol

C9H13NO3 — CID 130565658

IUPAC1-(4-methoxy-3-pyridinyl)propane-1,2-diol
SMILESCOc1ccncc1C(O)C(C)O
InChIInChI=1S/C9H13NO3/c1-6(11)9(12)7-5-10-4-3-8(7)13-2/h3-6,9,11-12H,1-2H3
InChIKeyKEYCSUZKAVMUHK-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.50
Rot. Bonds3

About 1-(4-methoxy-3-pyridinyl)propane-1,2-diol

1-(4-methoxy-3-pyridinyl)propane-1,2-diol (PubChem CID 130565658) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(4-methoxy-3-pyridinyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(4-methoxy-3-pyridinyl)propane-1,2-diol
PubChem CID130565658
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name1-(4-methoxy-3-pyridinyl)propane-1,2-diol
SMILESCOc1ccncc1C(O)C(C)O
InChIInChI=1S/C9H13NO3/c1-6(11)9(12)7-5-10-4-3-8(7)13-2/h3-6,9,11-12H,1-2H3
InChIKeyKEYCSUZKAVMUHK-UHFFFAOYSA-N
XLogP0.50
TPSA62.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 171861827
(2S)-1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
CID 178103113
1-(4-methoxy-3-pyridinyl)-2-(propylamino)propan-1-ol
CID 178103278
ethyl 2,3-dihydroxy-3-(4-methoxy-3-pyridinyl)propanoate
CID 171865897
4-methoxy-3-propan-2-ylpyridine;3-propan-2-yl-4-propan-2-yloxypyridine
CID 177172347
(4-methoxy-3-pyridinyl)-(2-methylcyclopropyl)methanol
CID 130565651
(2,5-dimethoxyphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66272656
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
3-(iodomethyl)-4-methoxypyridine
CID 130559780
(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
CID 178103010
1-[1-(4-methoxy-3-pyridinyl)ethyl]piperazine
CID 83890116
2-(4-methoxy-3-pyridinyl)propan-2-ol
CID 115009163

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pyridinyl)propane-1,2-diol?
The IUPAC name of 1-(4-methoxy-3-pyridinyl)propane-1,2-diol (CID 130565658) is 1-(4-methoxy-3-pyridinyl)propane-1,2-diol.
What is the SMILES notation for 1-(4-methoxy-3-pyridinyl)propane-1,2-diol?
The canonical SMILES for 1-(4-methoxy-3-pyridinyl)propane-1,2-diol is COc1ccncc1C(O)C(C)O.
What is the InChIKey of 1-(4-methoxy-3-pyridinyl)propane-1,2-diol?
The InChIKey is KEYCSUZKAVMUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-6(11)9(12)7-5-10-4-3-8(7)13-2/h3-6,9,11-12H,1-2H3.
What are the key properties of 1-(4-methoxy-3-pyridinyl)propane-1,2-diol?
1-(4-methoxy-3-pyridinyl)propane-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pyridinyl)propane-1,2-diol is sourced from PubChem (CID 130565658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).