6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol

C14H16ClN3O — CID 79781509

IUPAC6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol
SMILESCN(C)c1ccc(NCc2ccc(O)cn2)cc1Cl
InChIInChI=1S/C14H16ClN3O/c1-18(2)14-6-4-10(7-13(14)15)16-8-11-3-5-12(19)9-17-11/h3-7,9,16,19H,8H2,1-2H3
InChIKeyPPNHKAIRFXHPKA-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.12
Rot. Bonds4

About 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol

6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol (PubChem CID 79781509) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol
PubChem CID79781509
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol
SMILESCN(C)c1ccc(NCc2ccc(O)cn2)cc1Cl
InChIInChI=1S/C14H16ClN3O/c1-18(2)14-6-4-10(7-13(14)15)16-8-11-3-5-12(19)9-17-11/h3-7,9,16,19H,8H2,1-2H3
InChIKeyPPNHKAIRFXHPKA-UHFFFAOYSA-N
XLogP3.12
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[(3-chloro-4-propan-2-yloxyanilino)methyl]pyridin-3-ol
CID 79781863
2-chloro-1-N,1-N-dimethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,4-diamine
CID 54865262
N-[4-[(5-hydroxy-2-pyridinyl)methylamino]phenyl]acetamide
CID 79776095
6-(anilinomethyl)pyridin-3-ol
CID 79787965
2-chloro-1-N,1-N-dimethyl-4-N-[(3-methylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66118351
4-N-[(4-bromophenyl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63450826
6-[[3-(diethylaminomethyl)anilino]methyl]pyridin-3-ol
CID 79781685
6-[[(2-methyl-1,3-benzoxazol-5-yl)amino]methyl]pyridin-3-ol
CID 79775669
2-chloro-4-N-(furan-3-ylmethyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 63204464
2-chloro-1-N,1-N-dimethyl-4-N-[(3-propan-2-ylimidazol-4-yl)methyl]benzene-1,4-diamine
CID 66163955
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79775423
4-N-[(5-bromofuran-2-yl)methyl]-2-chloro-1-N,1-N-dimethylbenzene-1,4-diamine
CID 54865355

Frequently Asked Questions

What is the IUPAC name of 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol?
The IUPAC name of 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol (CID 79781509) is 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol?
The canonical SMILES for 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol is CN(C)c1ccc(NCc2ccc(O)cn2)cc1Cl.
What is the InChIKey of 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol?
The InChIKey is PPNHKAIRFXHPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-18(2)14-6-4-10(7-13(14)15)16-8-11-3-5-12(19)9-17-11/h3-7,9,16,19H,8H2,1-2H3.
What are the key properties of 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol?
6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol has a molecular weight of 277.76 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 6-[[3-chloro-4-(dimethylamino)anilino]methyl]pyridin-3-ol is sourced from PubChem (CID 79781509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).