6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine

C10H14ClN3O — CID 115474100

IUPAC6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCC1CCOC1
InChIInChI=1S/C10H14ClN3O/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyNAMIBWPZZGXQCO-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.77
Rot. Bonds3

About 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine

6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine (PubChem CID 115474100) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
PubChem CID115474100
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCC1CCOC1
InChIInChI=1S/C10H14ClN3O/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-2,7H,3-6,12H2,(H,13,14)
InChIKeyNAMIBWPZZGXQCO-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-2,3-diamine
CID 113316900
6-methoxy-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 62824708
6-chloro-3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 63705752
6-N-(oxolan-3-ylmethyl)pyridine-2,6-diamine
CID 80646699
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
4-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 62824000
2,6-dichloro-1-N-(oxolan-3-ylmethyl)benzene-1,4-diamine
CID 106890339
4-(benzenesulfonyl)-6-chloro-N-[[(3R)-oxolan-3-yl]methyl]pyridazin-3-amine
CID 169090365
2-chloro-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103321534
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
3-bromo-4-methyl-2-N-(oxolan-3-ylmethyl)pyridine-2,5-diamine
CID 104506777
6-chloro-5-methyl-N-(oxolan-3-ylmethyl)pyrimidin-4-amine
CID 63728364

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine (CID 115474100) is 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCC1CCOC1.
What is the InChIKey of 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
The InChIKey is NAMIBWPZZGXQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-2-1-8(12)10(14-9)13-5-7-3-4-15-6-7/h1-2,7H,3-6,12H2,(H,13,14).
What are the key properties of 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine?
6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine has a molecular weight of 227.69 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).