[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol

C13H13ClN2O — CID 82087006

IUPAC[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
SMILESCc1cc(Cl)ccc1Nc1ncccc1CO
InChIInChI=1S/C13H13ClN2O/c1-9-7-11(14)4-5-12(9)16-13-10(8-17)3-2-6-15-13/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyVWECJDFVVKULGE-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.28
Rot. Bonds3

About [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol

[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol (PubChem CID 82087006) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
PubChem CID82087006
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
SMILESCc1cc(Cl)ccc1Nc1ncccc1CO
InChIInChI=1S/C13H13ClN2O/c1-9-7-11(14)4-5-12(9)16-13-10(8-17)3-2-6-15-13/h2-7,17H,8H2,1H3,(H,15,16)
InChIKeyVWECJDFVVKULGE-UHFFFAOYSA-N
XLogP3.28
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
[2-(3,5-dimethylanilino)-3-pyridinyl]methanol
CID 82081347
(E)-4-[2-(4-chloro-2-methylanilino)-3-pyridinyl]but-3-en-2-one
CID 118001497
[2-(3,4-dichloroanilino)-3-pyridinyl]methanol
CID 14739451
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
[5-chloro-2-(4-iodo-2-methylanilino)phenyl]methanol
CID 22225995
N-[3-[[3-(hydroxymethyl)-2-pyridinyl]amino]phenyl]acetamide
CID 82089213
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
6-chloro-N-(4-chloro-2-methylphenyl)-4,5-dimethylpyridazin-3-amine
CID 114256276
[2-(3-bromoanilino)-3-pyridinyl]methanol
CID 82093811

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol?
The IUPAC name of [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol (CID 82087006) is [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol.
What is the SMILES notation for [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol?
The canonical SMILES for [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol is Cc1cc(Cl)ccc1Nc1ncccc1CO.
What is the InChIKey of [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol?
The InChIKey is VWECJDFVVKULGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-9-7-11(14)4-5-12(9)16-13-10(8-17)3-2-6-15-13/h2-7,17H,8H2,1H3,(H,15,16).
What are the key properties of [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol?
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol has a molecular weight of 248.71 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol is sourced from PubChem (CID 82087006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).