[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

C16H15ClFN3O2 — CID 167862130

IUPAC[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2ccc(F)c(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C16H15ClFN3O2/c17-12-10-11(4-5-13(12)18)19-15-3-1-2-14(20-15)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20)
InChIKeyTYELYCGYYFMMPL-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.09
Rot. Bonds3

About [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone

[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 167862130) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID167862130
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cccc(Nc2ccc(F)c(Cl)c2)n1)N1CCOCC1
InChIInChI=1S/C16H15ClFN3O2/c17-12-10-11(4-5-13(12)18)19-15-3-1-2-14(20-15)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20)
InChIKeyTYELYCGYYFMMPL-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
[6-(3-chloro-4-methylanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365603
[6-(4-chloroanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853517
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
6-(4-chloro-3-fluoroanilino)pyridine-2-carboxylic acid
CID 62240911
[6-(ethylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 62239087
N-(3-chloro-4-methoxyphenyl)-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096074
[2-(3,4-dichloroanilino)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 4222905
[4-(2,6-dichloroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206553
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714

Frequently Asked Questions

What is the IUPAC name of [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone (CID 167862130) is [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cccc(Nc2ccc(F)c(Cl)c2)n1)N1CCOCC1.
What is the InChIKey of [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is TYELYCGYYFMMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c17-12-10-11(4-5-13(12)18)19-15-3-1-2-14(20-15)16(22)21-6-8-23-9-7-21/h1-5,10H,6-9H2,(H,19,20).
What are the key properties of [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone?
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 335.77 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 167862130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).