[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine

C14H10Cl2FN3 — CID 81462454

IUPAC[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(F)c(Cl)cc3Cl)cn2c1
InChIInChI=1S/C14H10Cl2FN3/c15-10-4-11(16)12(17)3-9(10)13-7-20-6-8(5-18)1-2-14(20)19-13/h1-4,6-7H,5,18H2
InChIKeyRMAUTSCOHPRRTP-UHFFFAOYSA-N
MW310.16 g/mol
LogP3.91
Rot. Bonds2

About [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine

[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine (PubChem CID 81462454) has the molecular formula C14H10Cl2FN3 and a molecular weight of 310.16 g/mol. Its IUPAC name is [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
PubChem CID81462454
Molecular FormulaC14H10Cl2FN3
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(-c3cc(F)c(Cl)cc3Cl)cn2c1
InChIInChI=1S/C14H10Cl2FN3/c15-10-4-11(16)12(17)3-9(10)13-7-20-6-8(5-18)1-2-14(20)19-13/h1-4,6-7H,5,18H2
InChIKeyRMAUTSCOHPRRTP-UHFFFAOYSA-N
XLogP3.91
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-amine
CID 63946258
[2-(2,5-difluoro-4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462814
[2-(5-bromo-2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 82973931
[2-(2-methoxy-5-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462901
[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 79021351
6-chloro-2-(2,5-difluorophenyl)imidazo[1,2-a]pyridine
CID 4879407
[2-(5-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462365
[2-(4-bromothiophen-2-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 107355567
[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81463077
[2-(furan-3-yl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81463266
(2-pyridin-2-ylimidazo[1,2-a]pyridin-6-yl)methanamine
CID 82059890
3-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]phenol
CID 117130711

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine (CID 81462454) is [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine is NCc1ccc2nc(-c3cc(F)c(Cl)cc3Cl)cn2c1.
What is the InChIKey of [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
The InChIKey is RMAUTSCOHPRRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2FN3/c15-10-4-11(16)12(17)3-9(10)13-7-20-6-8(5-18)1-2-14(20)19-13/h1-4,6-7H,5,18H2.
What are the key properties of [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine?
[2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine has a molecular weight of 310.16 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 81462454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).