4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile

C15H10ClN5O2 — CID 134017959

IUPAC4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
SMILESN#Cc1ccc(NCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN5O2/c16-11-2-4-15-19-12(9-20(15)8-11)7-18-13-3-1-10(6-17)5-14(13)21(22)23/h1-5,8-9,18H,7H2
InChIKeyLIHCKRLGMNJKDQ-UHFFFAOYSA-N
MW327.73 g/mol
LogP3.38
Rot. Bonds4

About 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile

4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile (PubChem CID 134017959) has the molecular formula C15H10ClN5O2 and a molecular weight of 327.73 g/mol. Its IUPAC name is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile.

Molecular Properties

Compound Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
PubChem CID134017959
Molecular FormulaC15H10ClN5O2
Molecular Weight327.73 g/mol
Exact Mass327.05
IUPAC Name4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile
SMILESN#Cc1ccc(NCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10ClN5O2/c16-11-2-4-15-19-12(9-20(15)8-11)7-18-13-3-1-10(6-17)5-14(13)21(22)23/h1-5,8-9,18H,7H2
InChIKeyLIHCKRLGMNJKDQ-UHFFFAOYSA-N
XLogP3.38
TPSA96.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
4-[(2-bromo-5-chlorophenyl)methylamino]-3-nitrobenzonitrile
CID 79027088
3-nitro-4-(pyridin-2-ylmethylamino)benzonitrile
CID 24903012
4-[(4-chlorothiophen-2-yl)methylamino]-3-nitrobenzonitrile
CID 79428041
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
4-[(5-bromo-2-pyridinyl)methylamino]-3-nitrobenzonitrile
CID 78965249
3-nitro-4-(pyridin-4-ylmethylamino)benzonitrile
CID 43395203
4-[(1-methylpyrrol-3-yl)methylamino]-3-nitrobenzonitrile
CID 79036356
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2,5-difluoroaniline
CID 78914191
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-nitrobenzonitrile
CID 115886953
2-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylaniline
CID 107634826

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile?
The IUPAC name of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile (CID 134017959) is 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile.
What is the SMILES notation for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile?
The canonical SMILES for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile is N#Cc1ccc(NCc2cn3cc(Cl)ccc3n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile?
The InChIKey is LIHCKRLGMNJKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN5O2/c16-11-2-4-15-19-12(9-20(15)8-11)7-18-13-3-1-10(6-17)5-14(13)21(22)23/h1-5,8-9,18H,7H2.
What are the key properties of 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile?
4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile has a molecular weight of 327.73 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-3-nitrobenzonitrile is sourced from PubChem (CID 134017959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).