4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine

C15H11Cl2F2N3 — CID 155746684

IUPAC4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
SMILESCC(F)(F)c1nc(Nc2cc(Cl)c3cc[nH]c3c2)ccc1Cl
InChIInChI=1S/C15H11Cl2F2N3/c1-15(18,19)14-10(16)2-3-13(22-14)21-8-6-11(17)9-4-5-20-12(9)7-8/h2-7,20H,1H3,(H,21,22)
InChIKeyRIJRXSPHVGGLJK-UHFFFAOYSA-N
MW342.18 g/mol
LogP5.72
Rot. Bonds3

About 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine

4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine (PubChem CID 155746684) has the molecular formula C15H11Cl2F2N3 and a molecular weight of 342.18 g/mol. Its IUPAC name is 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine.

Molecular Properties

Compound Name4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
PubChem CID155746684
Molecular FormulaC15H11Cl2F2N3
Molecular Weight342.18 g/mol
Exact Mass341.03
IUPAC Name4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine
SMILESCC(F)(F)c1nc(Nc2cc(Cl)c3cc[nH]c3c2)ccc1Cl
InChIInChI=1S/C15H11Cl2F2N3/c1-15(18,19)14-10(16)2-3-13(22-14)21-8-6-11(17)9-4-5-20-12(9)7-8/h2-7,20H,1H3,(H,21,22)
InChIKeyRIJRXSPHVGGLJK-UHFFFAOYSA-N
XLogP5.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.18
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(4-chloro-1H-indol-6-yl)amino]-4-[3-chloro-5-(trifluoromethoxy)anilino]pyridine-2-carbonitrile
CID 164538848
6-[(4-chloro-1H-indol-6-yl)amino]-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 164538891
4-chloro-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1H-indol-6-amine
CID 155742371
N-(4-chloro-1H-indol-6-yl)-6-[4-(trifluoromethyl)cyclohexyl]-1H-benzimidazol-2-amine
CID 164540030
6-[(4-chloro-1H-indol-6-yl)amino]-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridine-2-carbonitrile
CID 164538841
6-[(4-chloro-1H-indol-6-yl)amino]-4-[(1,3-dimethylindazol-5-yl)amino]pyridine-2-carbonitrile
CID 164538913
6-[[7-(trifluoromethyl)quinolin-2-yl]amino]-1H-indole-4-carbonitrile
CID 155412426
N-(4-chloro-1H-indol-6-yl)-6-(4,4-difluorocyclohexyl)-1H-benzimidazol-2-amine
CID 164539962
4,6-dichloro-N-(4-methyl-1H-indol-6-yl)-1H-benzimidazol-2-amine
CID 167126757
N-(6-tert-butyl-2-pyridinyl)-1H-indol-6-amine
CID 155412230
1-[4-[2-[(4-chloro-1H-indol-6-yl)amino]-3H-benzimidazol-5-yl]piperidin-1-yl]ethanone
CID 164540010
1-(4-chloro-1H-indol-6-yl)-3-[(3-methyl-4-pyridinyl)methyl]urea
CID 155411835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine?
The IUPAC name of 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine (CID 155746684) is 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine.
What is the SMILES notation for 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine?
The canonical SMILES for 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine is CC(F)(F)c1nc(Nc2cc(Cl)c3cc[nH]c3c2)ccc1Cl.
What is the InChIKey of 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine?
The InChIKey is RIJRXSPHVGGLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F2N3/c1-15(18,19)14-10(16)2-3-13(22-14)21-8-6-11(17)9-4-5-20-12(9)7-8/h2-7,20H,1H3,(H,21,22).
What are the key properties of 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine?
4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine has a molecular weight of 342.18 g/mol, XLogP of 5.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-chloro-6-(1,1-difluoroethyl)-2-pyridinyl]-1H-indol-6-amine is sourced from PubChem (CID 155746684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).