2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol

C15H18ClN3O — CID 79150636

IUPAC2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(Cl)c2N(C)C)n1
InChIInChI=1S/C15H18ClN3O/c1-10-7-8-14(20)13(18-10)9-17-12-6-4-5-11(16)15(12)19(2)3/h4-8,17,20H,9H2,1-3H3
InChIKeyGIZWKSVIISSCNI-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.43
Rot. Bonds4

About 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol

2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol (PubChem CID 79150636) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
PubChem CID79150636
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2cccc(Cl)c2N(C)C)n1
InChIInChI=1S/C15H18ClN3O/c1-10-7-8-14(20)13(18-10)9-17-12-6-4-5-11(16)15(12)19(2)3/h4-8,17,20H,9H2,1-3H3
InChIKeyGIZWKSVIISSCNI-UHFFFAOYSA-N
XLogP3.43
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chloro-2-fluoroanilino)methyl]-6-methylpyridin-3-ol
CID 79163434
6-methyl-2-[(naphthalen-1-ylamino)methyl]pyridin-3-ol
CID 79163427
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,2-diamine
CID 115968319
2-[(2-iodoanilino)methyl]-6-methylpyridin-3-ol
CID 79162332
2-bromo-4-[[3-chloro-2-(dimethylamino)anilino]methyl]phenol
CID 63045727
3-chloro-2-N,2-N-dimethyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 43739721
2-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-6-methylpyridin-3-ol
CID 79162436
6-methyl-2-[(2,4,6-trichloroanilino)methyl]pyridin-3-ol
CID 79162815
3-chloro-2-N,2-N-dimethyl-1-N-(1,3-thiazol-5-ylmethyl)benzene-1,2-diamine
CID 62759450
2-[(8λ4-selena-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylamino)methyl]-6-methylpyridin-3-ol
CID 79151022
3-chloro-2-N,2-N-dimethyl-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 43739781
3-chloro-1-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739861

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol (CID 79150636) is 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2cccc(Cl)c2N(C)C)n1.
What is the InChIKey of 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is GIZWKSVIISSCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10-7-8-14(20)13(18-10)9-17-12-6-4-5-11(16)15(12)19(2)3/h4-8,17,20H,9H2,1-3H3.
What are the key properties of 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol?
2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 291.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-(dimethylamino)anilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79150636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).