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

C13H13ClN2O2 — CID 143206325

IUPAC[3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol
SMILESCc1cc(Nc2cccc(OCO)c2)cc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-5-11(7-13(14)15-9)16-10-3-2-4-12(6-10)18-8-17/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyMYUUCTYUVVCVJO-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.12
Rot. Bonds4

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

[3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol (PubChem CID 143206325) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol
PubChem CID143206325
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name[3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol
SMILESCc1cc(Nc2cccc(OCO)c2)cc(Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-9-5-11(7-13(14)15-9)16-10-3-2-4-12(6-10)18-8-17/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyMYUUCTYUVVCVJO-UHFFFAOYSA-N
XLogP3.12
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-aminoethoxy)phenyl]-4,6-dimethylpyrimidin-2-amine
CID 63121057
[3-[[4,6-bis[3-(hydroxymethoxy)anilino]-1,3,5-triazin-2-yl]amino]phenoxy]methyl 2-methylprop-2-enoate
CID 155065630
4-chloro-N-(3-ethylphenyl)-6-methylpyrimidin-2-amine
CID 58910370
N-[3-(2-aminoethoxy)phenyl]-5,6-dimethyl-1,2,4-triazin-3-amine
CID 114787066
4-chloro-6-methyl-2-[(3-methylphenoxy)methyl]pyrimidine
CID 15561342
(3-methoxyphenoxy)methanol
CID 10442564
2-chloro-N-(3-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321082
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
2,6-dichloro-N-(3-ethoxyphenyl)-4-fluoroaniline
CID 141222673
N-phenyl-3-propoxyaniline
CID 71334741
2-(3-methoxyanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334663
1-butyl-N-(3-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106566734

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol?
The IUPAC name of [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol (CID 143206325) is [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol.
What is the SMILES notation for [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol?
The canonical SMILES for [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol is Cc1cc(Nc2cccc(OCO)c2)cc(Cl)n1.
What is the InChIKey of [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol?
The InChIKey is MYUUCTYUVVCVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-9-5-11(7-13(14)15-9)16-10-3-2-4-12(6-10)18-8-17/h2-7,17H,8H2,1H3,(H,15,16).
What are the key properties of [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol?
[3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol has a molecular weight of 264.71 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-6-methyl-4-pyridinyl)amino]phenoxy]methanol is sourced from PubChem (CID 143206325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).