3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide

C13H12ClN3O2 — CID 107060606

IUPAC3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccccc2CO)c1Cl
InChIInChI=1S/C13H12ClN3O2/c14-11-9(12(15)16)5-6-17-13(11)19-10-4-2-1-3-8(10)7-18/h1-6,18H,7H2,(H3,15,16)
InChIKeyYFMMVNUXAZJEIL-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.30
Rot. Bonds4

About 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide

3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide (PubChem CID 107060606) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
PubChem CID107060606
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(Oc2ccccc2CO)c1Cl
InChIInChI=1S/C13H12ClN3O2/c14-11-9(12(15)16)5-6-17-13(11)19-10-4-2-1-3-8(10)7-18/h1-6,18H,7H2,(H3,15,16)
InChIKeyYFMMVNUXAZJEIL-UHFFFAOYSA-N
XLogP2.30
TPSA92.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
2-[2-(hydroxymethyl)phenoxy]benzenecarboximidamide
CID 63653288
3-chloro-2-phenylmethoxypyridine-4-carboximidamide
CID 107060468
3-chloro-2-(2-methyl-3-nitrophenoxy)pyridine-4-carboximidamide
CID 107060571
3-chloro-2-octoxypyridine-4-carboximidamide
CID 107060534
3-chloro-2-(3-fluorophenoxy)pyridine-4-carboximidamide
CID 107060457
3-chloro-2-(3-methylbutan-2-yloxy)pyridine-4-carboximidamide
CID 107060633
3-chloro-2-[2-(2-hydroxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 107714129
3-chloro-2-(4-methylpentoxy)pyridine-4-carboximidamide
CID 107060531
[2-[2-(hydroxymethyl)phenoxy]-3-pyridinyl]methanol
CID 63653116
3-chloro-2-(3,4-difluorophenoxy)pyridine-4-carboximidamide
CID 107060553
3-chloro-2-(4-fluoro-3-methylphenoxy)pyridine-4-carboximidamide
CID 107060638

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide (CID 107060606) is 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(Oc2ccccc2CO)c1Cl.
What is the InChIKey of 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide?
The InChIKey is YFMMVNUXAZJEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-11-9(12(15)16)5-6-17-13(11)19-10-4-2-1-3-8(10)7-18/h1-6,18H,7H2,(H3,15,16).
What are the key properties of 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide?
3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide has a molecular weight of 277.71 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[2-(hydroxymethyl)phenoxy]pyridine-4-carboximidamide is sourced from PubChem (CID 107060606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).