2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine

C15H13ClFN3 — CID 133360584

IUPAC2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
SMILESFc1ccc2c(CCNc3ccnc(Cl)c3)c[nH]c2c1
InChIInChI=1S/C15H13ClFN3/c16-15-8-12(4-6-19-15)18-5-3-10-9-20-14-7-11(17)1-2-13(10)14/h1-2,4,6-9,20H,3,5H2,(H,18,19)
InChIKeyGGKYDYMFNUOGNN-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.01
Rot. Bonds4

About 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine

2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine (PubChem CID 133360584) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
PubChem CID133360584
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
SMILESFc1ccc2c(CCNc3ccnc(Cl)c3)c[nH]c2c1
InChIInChI=1S/C15H13ClFN3/c16-15-8-12(4-6-19-15)18-5-3-10-9-20-14-7-11(17)1-2-13(10)14/h1-2,4,6-9,20H,3,5H2,(H,18,19)
InChIKeyGGKYDYMFNUOGNN-UHFFFAOYSA-N
XLogP4.01
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171573043
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
N-[2-(6-chloro-1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 133277622
2-chloro-N-[2-(2-methylphenyl)ethyl]pyridin-4-amine
CID 102824301
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
3-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-methylbutan-2-ol
CID 167932224
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 24862955
(7R)-2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-7-(methoxymethyl)-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-4-amine
CID 171572975
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine (CID 133360584) is 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine is Fc1ccc2c(CCNc3ccnc(Cl)c3)c[nH]c2c1.
What is the InChIKey of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine?
The InChIKey is GGKYDYMFNUOGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c16-15-8-12(4-6-19-15)18-5-3-10-9-20-14-7-11(17)1-2-13(10)14/h1-2,4,6-9,20H,3,5H2,(H,18,19).
What are the key properties of 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine has a molecular weight of 289.74 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 133360584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).