(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine

C11H11Cl2N3 — CID 166483741

IUPAC(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
SMILESCC[C@@H](N)c1cnc(Cl)c2cnc(Cl)cc12
InChIInChI=1S/C11H11Cl2N3/c1-2-9(14)7-4-16-11(13)8-5-15-10(12)3-6(7)8/h3-5,9H,2,14H2,1H3/t9-/m1/s1
InChIKeyFFYRIPNBDHWLJV-SECBINFHSA-N
MW256.14 g/mol
LogP3.35
Rot. Bonds2

About (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine

(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine (PubChem CID 166483741) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
PubChem CID166483741
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine
SMILESCC[C@@H](N)c1cnc(Cl)c2cnc(Cl)cc12
InChIInChI=1S/C11H11Cl2N3/c1-2-9(14)7-4-16-11(13)8-5-15-10(12)3-6(7)8/h3-5,9H,2,14H2,1H3/t9-/m1/s1
InChIKeyFFYRIPNBDHWLJV-SECBINFHSA-N
XLogP3.35
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
(1R)-1-(2,5-dichloro-3-pyridinyl)propan-1-amine
CID 130664333
1-[6-chloro-1-(3-methylsulfanylbutoxy)-2,7-naphthyridin-4-yl]propan-1-amine
CID 166483385
1-[6-chloro-1-(3-methylsulfanylpropoxy)-2,7-naphthyridin-4-yl]propan-1-amine;ethane;methanol
CID 166483396
1-(6-chloro-1-cyclobutyloxy-2,7-naphthyridin-4-yl)propan-1-amine;ethane;methylsulfanylmethane
CID 166483791
4-bromo-1,6-dichloro-2,7-naphthyridine
CID 134830478
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
1-(6-chloro-4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 55273502
(1S)-1-(2,6-dichloro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171223124
2-amino-2-(6-chloro-4-methyl-3-pyridinyl)ethanol
CID 55272427
5-[(1R)-1-aminopropyl]-4-methylpyridin-2-amine
CID 55275674
(1S)-1-(6-bromo-4-methyl-3-pyridinyl)propan-1-amine
CID 124501686

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine?
The IUPAC name of (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine (CID 166483741) is (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine.
What is the SMILES notation for (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine?
The canonical SMILES for (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine is CC[C@@H](N)c1cnc(Cl)c2cnc(Cl)cc12.
What is the InChIKey of (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine?
The InChIKey is FFYRIPNBDHWLJV-SECBINFHSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-2-9(14)7-4-16-11(13)8-5-15-10(12)3-6(7)8/h3-5,9H,2,14H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine?
(1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine has a molecular weight of 256.14 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1,6-dichloro-2,7-naphthyridin-4-yl)propan-1-amine is sourced from PubChem (CID 166483741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).