4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile

C21H12F4N4O — CID 171850779

IUPAC4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H12F4N4O/c22-18-4-3-15(9-17(18)21(23,24)25)30-16-7-14(11-26)29-20(10-16)28-13-2-1-12-5-6-27-19(12)8-13/h1-10,27H,(H,28,29)
InChIKeyPQEKPTUYURKBPY-UHFFFAOYSA-N
MW412.35 g/mol
LogP6.13
Rot. Bonds4

About 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile

4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile (PubChem CID 171850779) has the molecular formula C21H12F4N4O and a molecular weight of 412.35 g/mol. Its IUPAC name is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
PubChem CID171850779
Molecular FormulaC21H12F4N4O
Molecular Weight412.35 g/mol
Exact Mass412.09
IUPAC Name4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1cc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Nc2ccc3cc[nH]c3c2)n1
InChIInChI=1S/C21H12F4N4O/c22-18-4-3-15(9-17(18)21(23,24)25)30-16-7-14(11-26)29-20(10-16)28-13-2-1-12-5-6-27-19(12)8-13/h1-10,27H,(H,28,29)
InChIKeyPQEKPTUYURKBPY-UHFFFAOYSA-N
XLogP6.13
TPSA73.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.35
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1H-indol-6-ylamino)-4-[3-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 171850841
6-(1H-indol-6-ylamino)-4-(2,3,5-trifluorophenoxy)pyridine-2-carbonitrile
CID 171850874
6-(1H-indol-6-ylamino)-4-[[2-(trifluoromethyl)phenyl]methoxy]pyridine-2-carbonitrile
CID 171850947
4-[(3,5-difluorophenyl)methoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 171850814
4-(2-cyclopropylethoxy)-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 175628729
6-(1H-indol-6-ylamino)-4-[2-(2-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-2-carbonitrile
CID 171850799
4-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile
CID 164538897
6-(1H-indol-6-ylamino)-4-[(1-methylindazol-5-yl)methoxy]pyridine-2-carbonitrile
CID 171850912
N-[5-(trifluoromethoxy)-2-pyridinyl]-1H-indol-6-amine
CID 155412381
6-[(3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]propoxy]pyridine-2-carbonitrile
CID 171850898
6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
CID 171850919
N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile (CID 171850779) is 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile is N#Cc1cc(Oc2ccc(F)c(C(F)(F)F)c2)cc(Nc2ccc3cc[nH]c3c2)n1.
What is the InChIKey of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
The InChIKey is PQEKPTUYURKBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N4O/c22-18-4-3-15(9-17(18)21(23,24)25)30-16-7-14(11-26)29-20(10-16)28-13-2-1-12-5-6-27-19(12)8-13/h1-10,27H,(H,28,29).
What are the key properties of 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile?
4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile has a molecular weight of 412.35 g/mol, XLogP of 6.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(trifluoromethyl)phenoxy]-6-(1H-indol-6-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 171850779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).