[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol

C12H13ClN2O2 — CID 61422350

IUPAC[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
SMILESCN(Cc1ccoc1)c1ncc(CO)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-15(6-9-2-3-17-8-9)12-11(13)4-10(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyZRMPMLOMTKHKJD-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.46
Rot. Bonds4

About [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol

[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol (PubChem CID 61422350) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
PubChem CID61422350
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol
SMILESCN(Cc1ccoc1)c1ncc(CO)cc1Cl
InChIInChI=1S/C12H13ClN2O2/c1-15(6-9-2-3-17-8-9)12-11(13)4-10(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3
InChIKeyZRMPMLOMTKHKJD-UHFFFAOYSA-N
XLogP2.46
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol (CID 61422350) is [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol is CN(Cc1ccoc1)c1ncc(CO)cc1Cl.
What is the InChIKey of [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol?
The InChIKey is ZRMPMLOMTKHKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-15(6-9-2-3-17-8-9)12-11(13)4-10(7-16)5-14-12/h2-5,8,16H,6-7H2,1H3.
What are the key properties of [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol?
[5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[furan-3-ylmethyl(methyl)amino]-3-pyridinyl]methanol is sourced from PubChem (CID 61422350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).