N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine

C14H10ClN3O — CID 693245

IUPACN-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine
SMILESON=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-11-6-4-10(5-7-11)14-17-12(9-16-19)13-3-1-2-8-18(13)14/h1-9,19H
InChIKeyBWKUKNINGASFBK-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.46
Rot. Bonds2

About N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine

N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine (PubChem CID 693245) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine
PubChem CID693245
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine
SMILESON=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-11-6-4-10(5-7-11)14-17-12(9-16-19)13-3-1-2-8-18(13)14/h1-9,19H
InChIKeyBWKUKNINGASFBK-UHFFFAOYSA-N
XLogP3.46
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine (CID 693245) is N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine is ON=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12.
What is the InChIKey of N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine?
The InChIKey is BWKUKNINGASFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-11-6-4-10(5-7-11)14-17-12(9-16-19)13-3-1-2-8-18(13)14/h1-9,19H.
What are the key properties of N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine?
N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine has a molecular weight of 271.71 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 693245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).