[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol

C13H14ClN3O — CID 61255835

IUPAC[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCN(Cc1ccncc1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H14ClN3O/c1-17(8-10-4-6-15-7-5-10)13-3-2-11(14)12(9-18)16-13/h2-7,18H,8-9H2,1H3
InChIKeyZMQPIEJVNWDMQQ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.26
Rot. Bonds4

About [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol

[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol (PubChem CID 61255835) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
PubChem CID61255835
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol
SMILESCN(Cc1ccncc1)c1ccc(Cl)c(CO)n1
InChIInChI=1S/C13H14ClN3O/c1-17(8-10-4-6-15-7-5-10)13-3-2-11(14)12(9-18)16-13/h2-7,18H,8-9H2,1H3
InChIKeyZMQPIEJVNWDMQQ-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The IUPAC name of [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol (CID 61255835) is [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol.
What is the SMILES notation for [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The canonical SMILES for [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol is CN(Cc1ccncc1)c1ccc(Cl)c(CO)n1.
What is the InChIKey of [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
The InChIKey is ZMQPIEJVNWDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-17(8-10-4-6-15-7-5-10)13-3-2-11(14)12(9-18)16-13/h2-7,18H,8-9H2,1H3.
What are the key properties of [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol?
[3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-[methyl(pyridin-4-ylmethyl)amino]-2-pyridinyl]methanol is sourced from PubChem (CID 61255835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).