1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol

C13H21ClN4O — CID 107408618

IUPAC1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-13(19)5-2-7-18(8-6-13)9-11-10(14)3-4-12(16-11)17-15/h3-4,19H,2,5-9,15H2,1H3,(H,16,17)
InChIKeyUUOLSHYOGKOLPU-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.76
Rot. Bonds3

About 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol

1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol (PubChem CID 107408618) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol
PubChem CID107408618
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol
SMILESCC1(O)CCCN(Cc2nc(NN)ccc2Cl)CC1
InChIInChI=1S/C13H21ClN4O/c1-13(19)5-2-7-18(8-6-13)9-11-10(14)3-4-12(16-11)17-15/h3-4,19H,2,5-9,15H2,1H3,(H,16,17)
InChIKeyUUOLSHYOGKOLPU-UHFFFAOYSA-N
XLogP1.76
TPSA74.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62891659
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 62893050
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55127165
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 55127208
[5-Chloro-6-[(4-propylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 55127543
3-[(3-Chloro-6-hydrazinyl-2-pyridinyl)methyl-(2-methylpropyl)amino]propanenitrile
CID 55127586
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N-ethylcyclohexanamine
CID 55127591
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,2-dimethylcyclohexan-1-amine
CID 55127733
N-butyl-N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]butan-1-amine
CID 55127834
N-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-N,3-dimethylcyclohexan-1-amine
CID 55127875
1-[1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 55128477
[5-Chloro-6-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 55158518

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol (CID 107408618) is 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol is CC1(O)CCCN(Cc2nc(NN)ccc2Cl)CC1.
What is the InChIKey of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol?
The InChIKey is UUOLSHYOGKOLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-13(19)5-2-7-18(8-6-13)9-11-10(14)3-4-12(16-11)17-15/h3-4,19H,2,5-9,15H2,1H3,(H,16,17).
What are the key properties of 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol?
1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol has a molecular weight of 284.79 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).