2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

C15H16ClN3 — CID 91140295

IUPAC2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(CN2CCc3nc(Cl)ccc3C2)cn1
InChIInChI=1S/C15H16ClN3/c1-11-2-3-12(8-17-11)9-19-7-6-14-13(10-19)4-5-15(16)18-14/h2-5,8H,6-7,9-10H2,1H3
InChIKeyILXHZWZHZGHANE-UHFFFAOYSA-N
MW273.77 g/mol
LogP3.00
Rot. Bonds2

About 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine

2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 91140295) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID91140295
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine
SMILESCc1ccc(CN2CCc3nc(Cl)ccc3C2)cn1
InChIInChI=1S/C15H16ClN3/c1-11-2-3-12(8-17-11)9-19-7-6-14-13(10-19)4-5-15(16)18-14/h2-5,8H,6-7,9-10H2,1H3
InChIKeyILXHZWZHZGHANE-UHFFFAOYSA-N
XLogP3.00
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(6-methyl-3-pyridinyl)methyl]pyrrolidin-3-one
CID 62995500
6-[(6-chloro-3-pyridinyl)methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913048
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
6-[[6-(3,4-dichlorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914472
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
CID 86671273
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
6-[(6-chloro-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944528
6-[[6-(4-fluorophenyl)-3-pyridinyl]methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914220
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916718
7-[(6-chloro-3-pyridinyl)methyl]-2-cyclopropyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 24931195
2-(2-chloro-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethyl acetate
CID 176891153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine (CID 91140295) is 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is Cc1ccc(CN2CCc3nc(Cl)ccc3C2)cn1.
What is the InChIKey of 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is ILXHZWZHZGHANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-11-2-3-12(8-17-11)9-19-7-6-14-13(10-19)4-5-15(16)18-14/h2-5,8H,6-7,9-10H2,1H3.
What are the key properties of 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine?
2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 273.77 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(6-methyl-3-pyridinyl)methyl]-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 91140295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).