4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

C14H14ClFN2O2 — CID 20914661

IUPAC4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C14H14ClFN2O2/c1-8-14(20)11(9(7-19)5-17-8)6-18-10-2-3-13(16)12(15)4-10/h2-5,18-20H,6-7H2,1H3
InChIKeyYZQHVBWTRWIDLE-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.99
Rot. Bonds4

About 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol

4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (PubChem CID 20914661) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.

Molecular Properties

Compound Name4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
PubChem CID20914661
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
SMILESCc1ncc(CO)c(CNc2ccc(F)c(Cl)c2)c1O
InChIInChI=1S/C14H14ClFN2O2/c1-8-14(20)11(9(7-19)5-17-8)6-18-10-2-3-13(16)12(15)4-10/h2-5,18-20H,6-7H2,1H3
InChIKeyYZQHVBWTRWIDLE-UHFFFAOYSA-N
XLogP2.99
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dichloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 107572749
4-[(2,5-dichloroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686208
5-(hydroxymethyl)-2-methyl-4-[(3-methylanilino)methyl]pyridin-3-ol
CID 20914681
4-[(2-chloro-4-iodoanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116686313
4-chloro-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzonitrile
CID 116686282
4-[(5-bromo-4-fluoro-2-methylanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 103275885
4-[[(6-fluoro-2-pyridinyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 116812929
methyl 2-acetyloxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoate
CID 18784874
3-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 83085930
5-fluoro-2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzonitrile
CID 116686480
3-chloro-4-fluoro-N-[(2,3,6-trichlorophenyl)methyl]aniline
CID 43772414
4-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 104956480

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The IUPAC name of 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol (CID 20914661) is 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol.
What is the SMILES notation for 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The canonical SMILES for 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is Cc1ncc(CO)c(CNc2ccc(F)c(Cl)c2)c1O.
What is the InChIKey of 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
The InChIKey is YZQHVBWTRWIDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c1-8-14(20)11(9(7-19)5-17-8)6-18-10-2-3-13(16)12(15)4-10/h2-5,18-20H,6-7H2,1H3.
What are the key properties of 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol?
4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol has a molecular weight of 296.73 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-4-fluoroanilino)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol is sourced from PubChem (CID 20914661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).