[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

C14H11ClN4O2 — CID 82529315

IUPAC[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc([N+](=O)[O-])cc2)nc2c(Cl)cccn12
InChIInChI=1S/C14H11ClN4O2/c15-11-2-1-7-18-12(8-16)13(17-14(11)18)9-3-5-10(6-4-9)19(20)21/h1-7H,8,16H2
InChIKeyDCRHPCVCKBRVDO-UHFFFAOYSA-N
MW302.72 g/mol
LogP3.02
Rot. Bonds3

About [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine

[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (PubChem CID 82529315) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.

Molecular Properties

Compound Name[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
PubChem CID82529315
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
SMILESNCc1c(-c2ccc([N+](=O)[O-])cc2)nc2c(Cl)cccn12
InChIInChI=1S/C14H11ClN4O2/c15-11-2-1-7-18-12(8-16)13(17-14(11)18)9-3-5-10(6-4-9)19(20)21/h1-7H,8,16H2
InChIKeyDCRHPCVCKBRVDO-UHFFFAOYSA-N
XLogP3.02
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(chloromethyl)-8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029739
2-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]ethanamine
CID 28866412
[5-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199222
8-chloro-2-(4-methyl-3-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 82528913
[8-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82529532
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
2-amino-N-(2-chlorophenyl)-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
CID 1069355
2-(4-butan-2-ylphenyl)-8-chloroimidazo[1,2-a]pyridin-3-amine
CID 82528923
2-[2-(4-chlorophenyl)-8-nitroimidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 10764308
3-[8-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2759948
7-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82343145
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 42738330

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The IUPAC name of [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine (CID 82529315) is [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine.
What is the SMILES notation for [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The canonical SMILES for [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is NCc1c(-c2ccc([N+](=O)[O-])cc2)nc2c(Cl)cccn12.
What is the InChIKey of [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
The InChIKey is DCRHPCVCKBRVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-11-2-1-7-18-12(8-16)13(17-14(11)18)9-3-5-10(6-4-9)19(20)21/h1-7H,8,16H2.
What are the key properties of [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine?
[8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine has a molecular weight of 302.72 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine is sourced from PubChem (CID 82529315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).