(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone

C21H16ClF3N2O3 — CID 68879730

IUPAC(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone
SMILESCC(O)CNc1nc(Oc2ccc(F)cc2F)cc(F)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClF3N2O3/c1-11(28)10-26-21-19(20(29)13-4-2-3-5-14(13)22)16(25)9-18(27-21)30-17-7-6-12(23)8-15(17)24/h2-9,11,28H,10H2,1H3,(H,26,27)
InChIKeyCOJLYFRAWVHODA-UHFFFAOYSA-N
MW436.82 g/mol
LogP4.97
Rot. Bonds7

About (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone

(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone (PubChem CID 68879730) has the molecular formula C21H16ClF3N2O3 and a molecular weight of 436.82 g/mol. Its IUPAC name is (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone
PubChem CID68879730
Molecular FormulaC21H16ClF3N2O3
Molecular Weight436.82 g/mol
Exact Mass436.08
IUPAC Name(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone
SMILESCC(O)CNc1nc(Oc2ccc(F)cc2F)cc(F)c1C(=O)c1ccccc1Cl
InChIInChI=1S/C21H16ClF3N2O3/c1-11(28)10-26-21-19(20(29)13-4-2-3-5-14(13)22)16(25)9-18(27-21)30-17-7-6-12(23)8-15(17)24/h2-9,11,28H,10H2,1H3,(H,26,27)
InChIKeyCOJLYFRAWVHODA-UHFFFAOYSA-N
XLogP4.97
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(2,4-difluorophenoxy)pyridine-3-carboxamide
CID 22612146
(2S)-1-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol;3-(2-chlorophenyl)-6-methylsulfonyl-N-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine;2,4-difluorophenolate
CID 159247156
(2S)-1-[[3-(4-chloro-2-methylphenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-2-ol
CID 59812869
1-[[4-[4-amino-2-(2,4-difluorophenoxy)pyrimidine-5-carboximidoyl]-5-chloro-2-pyridinyl]amino]propan-2-ol
CID 144999641
(6-chloro-4-methylsulfanylpyridazin-3-yl)-(2-methoxyphenyl)methanone;[6-(2,4-difluorophenoxy)-4-methylsulfanylpyridazin-3-yl]-(2-methoxyphenyl)methanone
CID 87610110
6-(2,4-difluorophenoxy)pyridine-2-carboxylic acid
CID 55053506
2-(2-chloro-6-fluorophenyl)-N-[6-(2,4-difluorophenoxy)-3-pyridinyl]acetamide
CID 154872994
3,5-dichloro-6-(2,4-difluorophenoxy)-N-propylpyridin-2-amine
CID 102760578
4-(2,4-difluorophenoxy)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566298
N-[[2-(2,4-difluorophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63552912
(2S,3R)-2-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-3-hydroxybutanoic acid
CID 59812885
6-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]hexane-1,2,3,4,5-pentol
CID 69212680

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone?
The IUPAC name of (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone (CID 68879730) is (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone?
The canonical SMILES for (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone is CC(O)CNc1nc(Oc2ccc(F)cc2F)cc(F)c1C(=O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone?
The InChIKey is COJLYFRAWVHODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3/c1-11(28)10-26-21-19(20(29)13-4-2-3-5-14(13)22)16(25)9-18(27-21)30-17-7-6-12(23)8-15(17)24/h2-9,11,28H,10H2,1H3,(H,26,27).
What are the key properties of (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone?
(2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone has a molecular weight of 436.82 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[6-(2,4-difluorophenoxy)-4-fluoro-2-(2-hydroxypropylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 68879730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).