4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine

C17H13ClF2N4O — CID 174161646

IUPAC4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
SMILESCc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F
InChIInChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23)
InChIKeyIRJUOGKUBHUEGD-UHFFFAOYSA-N
MW362.77 g/mol
LogP4.83
Rot. Bonds4

About 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine

4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine (PubChem CID 174161646) has the molecular formula C17H13ClF2N4O and a molecular weight of 362.77 g/mol. Its IUPAC name is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine.

Molecular Properties

Compound Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
PubChem CID174161646
Molecular FormulaC17H13ClF2N4O
Molecular Weight362.77 g/mol
Exact Mass362.07
IUPAC Name4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine
SMILESCc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F
InChIInChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23)
InChIKeyIRJUOGKUBHUEGD-UHFFFAOYSA-N
XLogP4.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-N-(ethylsulfamoyl)-3-fluoropyridin-2-amine
CID 177270251
4-[[5-(4-chloro-2-methoxyanilino)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161437
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
CID 174161470
N-(4-chloro-2-fluorophenyl)-5-[(3-fluoro-2-methylsulfonyl-4-pyridinyl)methyl]-4-methylpyridin-3-amine
CID 174161802
5-bromo-N-(4-chloro-2-fluorophenyl)-4-fluoropyridin-3-amine
CID 174161535
2-amino-N-(4-chloro-2-fluorophenyl)-3-fluoropyridine-4-carboxamide
CID 105385883
4-[[5-(5-chloro-2-fluorophenyl)-4-methyl-3-pyridinyl]methyl]-3-fluoropyridin-2-amine
CID 174161455
N-(4-chloro-2-fluorophenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897397
5-bromo-2-N-(4-chloro-2-fluorophenyl)pyridine-2,3-diamine
CID 54954909
2-N-(4-chloro-2-fluorophenyl)-6-methoxypyridine-2,5-diamine
CID 54954761
4-[[5-(4-chloro-2-fluorophenoxy)-4-methyl-3-pyridinyl]methyl]-3-methoxy-N-(methylsulfamoyl)pyridin-2-amine
CID 174161442
1-N-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The IUPAC name of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine (CID 174161646) is 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine.
What is the SMILES notation for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The canonical SMILES for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine is Cc1c(Nc2ccc(Cl)cc2F)cncc1Oc1ccnc(N)c1F.
What is the InChIKey of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
The InChIKey is IRJUOGKUBHUEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N4O/c1-9-13(24-12-3-2-10(18)6-11(12)19)7-22-8-15(9)25-14-4-5-23-17(21)16(14)20/h2-8,24H,1H3,(H2,21,23).
What are the key properties of 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine?
4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine has a molecular weight of 362.77 g/mol, XLogP of 4.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(4-chloro-2-fluoroanilino)-4-methyl-3-pyridinyl]oxy]-3-fluoropyridin-2-amine is sourced from PubChem (CID 174161646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).