(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone

C14H13ClN4O — CID 62243807

IUPAC(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNNc1cc(C(=O)N2Cc3ccccc3C2)cc(Cl)n1
InChIInChI=1S/C14H13ClN4O/c15-12-5-11(6-13(17-12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18)
InChIKeyWJEGLHBVSKJQKN-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.18
Rot. Bonds2

About (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone

(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 62243807) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID62243807
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNNc1cc(C(=O)N2Cc3ccccc3C2)cc(Cl)n1
InChIInChI=1S/C14H13ClN4O/c15-12-5-11(6-13(17-12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18)
InChIKeyWJEGLHBVSKJQKN-UHFFFAOYSA-N
XLogP2.18
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-6-hydrazinyl-4-pyridinyl)-thiomorpholin-4-ylmethanone
CID 62243993
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,4-thiazepan-4-yl)methanone
CID 62242607
(2-chloro-6-methoxy-4-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 84575966
(2-chloro-6-hydrazinyl-4-pyridinyl)-(4,4-dimethylazepan-1-yl)methanone
CID 65286839
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968195
(2,6-dichloro-4-pyridinyl)-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 61053714
(3-bromo-5-chlorophenyl)-(1,3-dihydroisoindol-2-yl)methanone
CID 103826910
(3-chloro-6-hydrazinyl-2-pyridinyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 62248839
2-chloro-N-(2-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62247770
(2-chloro-6-hydrazinyl-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061599
3,4-dihydro-1H-isoquinolin-2-yl-(6-hydrazinyl-2-pyridinyl)methanone
CID 62248838
2-chloro-N-[2-(2-fluorophenyl)ethyl]-6-hydrazinylpyridine-4-carboxamide
CID 62237463

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone (CID 62243807) is (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is NNc1cc(C(=O)N2Cc3ccccc3C2)cc(Cl)n1.
What is the InChIKey of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is WJEGLHBVSKJQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c15-12-5-11(6-13(17-12)18-16)14(20)19-7-9-3-1-2-4-10(9)8-19/h1-6H,7-8,16H2,(H,17,18).
What are the key properties of (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone?
(2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 288.74 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-hydrazinyl-4-pyridinyl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 62243807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).