6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine

C11H7ClFN3 — CID 59337538

IUPAC6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine
SMILESNc1cc(Cl)cc2c1[nH]c1cncc(F)c12
InChIInChI=1S/C11H7ClFN3/c12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5/h1-4,16H,14H2
InChIKeyPLUJCXMMYZUSOP-UHFFFAOYSA-N
MW235.65 g/mol
LogP3.09
Rot. Bonds

About 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine

6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine (PubChem CID 59337538) has the molecular formula C11H7ClFN3 and a molecular weight of 235.65 g/mol. Its IUPAC name is 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine.

Molecular Properties

Compound Name6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine
PubChem CID59337538
Molecular FormulaC11H7ClFN3
Molecular Weight235.65 g/mol
Exact Mass235.03
IUPAC Name6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine
SMILESNc1cc(Cl)cc2c1[nH]c1cncc(F)c12
InChIInChI=1S/C11H7ClFN3/c12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5/h1-4,16H,14H2
InChIKeyPLUJCXMMYZUSOP-UHFFFAOYSA-N
XLogP3.09
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.65
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-4-fluoro-8-nitro-9H-pyrido[3,4-b]indole
CID 67165969
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
CID 68524321
5-fluoro-1H-pyrido[3,4-d]pyrimidine-2,4-dione
CID 166547715
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
6-chloro-9H-(214C)pyridino[3,4-b]indol-8-amine
CID 11435942
6-chloro-4-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole
CID 86188129
2-[(5-bromo-3-pyridinyl)methoxy]-5-chloro-3-fluoroaniline
CID 114267715
3-chloro-4-(3,5-dichlorophenyl)-5-fluoropyridine
CID 133090699
5-chloro-3-fluoro-2-methylaniline
CID 18727792
N-(6-chloro-9H-pyrido[3,4-b]indol-8-yl)-2-fluorobenzamide
CID 21362680
2,5-dichloropyridin-3-amine
CID 2799999
6-chloronaphthalene-1,4-diamine
CID 21424529

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine?
The IUPAC name of 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine (CID 59337538) is 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine.
What is the SMILES notation for 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine?
The canonical SMILES for 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine is Nc1cc(Cl)cc2c1[nH]c1cncc(F)c12.
What is the InChIKey of 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine?
The InChIKey is PLUJCXMMYZUSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFN3/c12-5-1-6-10-7(13)3-15-4-9(10)16-11(6)8(14)2-5/h1-4,16H,14H2.
What are the key properties of 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine?
6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine has a molecular weight of 235.65 g/mol, XLogP of 3.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-fluoro-9H-pyrido[3,4-b]indol-8-amine is sourced from PubChem (CID 59337538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).