[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol

C16H14BrN5O5 — CID 133269823

IUPAC[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol
SMILESCc1c(CO)cc([N+](=O)[O-])c(NCc2cn3cc(Br)ccc3n2)c1[N+](=O)[O-]
InChIInChI=1S/C16H14BrN5O5/c1-9-10(8-23)4-13(21(24)25)15(16(9)22(26)27)18-5-12-7-20-6-11(17)2-3-14(20)19-12/h2-4,6-7,18,23H,5,8H2,1H3
InChIKeyOEPCBYMYHFCNRL-UHFFFAOYSA-N
MW436.22 g/mol
LogP3.33
Rot. Bonds6

About [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol

[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol (PubChem CID 133269823) has the molecular formula C16H14BrN5O5 and a molecular weight of 436.22 g/mol. Its IUPAC name is [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol.

Molecular Properties

Compound Name[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol
PubChem CID133269823
Molecular FormulaC16H14BrN5O5
Molecular Weight436.22 g/mol
Exact Mass435.02
IUPAC Name[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol
SMILESCc1c(CO)cc([N+](=O)[O-])c(NCc2cn3cc(Br)ccc3n2)c1[N+](=O)[O-]
InChIInChI=1S/C16H14BrN5O5/c1-9-10(8-23)4-13(21(24)25)15(16(9)22(26)27)18-5-12-7-20-6-11(17)2-3-14(20)19-12/h2-4,6-7,18,23H,5,8H2,1H3
InChIKeyOEPCBYMYHFCNRL-UHFFFAOYSA-N
XLogP3.33
TPSA135.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.22
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-3,5-dinitrophenyl]methanol
CID 133332026
[2-methyl-4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-3,5-dinitrophenyl]methanol
CID 133449049
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55976892
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine
CID 133269867
[2-methyl-3,5-dinitro-4-(pentan-3-ylamino)phenyl]methanol
CID 533681
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
6-bromo-2-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 56555408
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
methyl 5-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-2-nitrobenzoate
CID 134017948
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylsulfonyl-3-nitrothiophen-2-amine
CID 133440796

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol?
The IUPAC name of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol (CID 133269823) is [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol.
What is the SMILES notation for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol?
The canonical SMILES for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol is Cc1c(CO)cc([N+](=O)[O-])c(NCc2cn3cc(Br)ccc3n2)c1[N+](=O)[O-].
What is the InChIKey of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol?
The InChIKey is OEPCBYMYHFCNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O5/c1-9-10(8-23)4-13(21(24)25)15(16(9)22(26)27)18-5-12-7-20-6-11(17)2-3-14(20)19-12/h2-4,6-7,18,23H,5,8H2,1H3.
What are the key properties of [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol?
[4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol has a molecular weight of 436.22 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-2-methyl-3,5-dinitrophenyl]methanol is sourced from PubChem (CID 133269823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).