2-(1,5-naphthyridin-4-yl)acetonitrile

C10H7N3 — CID 131154765

IUPAC2-(1,5-naphthyridin-4-yl)acetonitrile
SMILESN#CCc1ccnc2cccnc12
InChIInChI=1S/C10H7N3/c11-5-3-8-4-7-12-9-2-1-6-13-10(8)9/h1-2,4,6-7H,3H2
InChIKeyFBQUHDNGIUBMKF-UHFFFAOYSA-N
MW169.19 g/mol
LogP1.70
Rot. Bonds1

About 2-(1,5-naphthyridin-4-yl)acetonitrile

2-(1,5-naphthyridin-4-yl)acetonitrile (PubChem CID 131154765) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 2-(1,5-naphthyridin-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,5-naphthyridin-4-yl)acetonitrile
PubChem CID131154765
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name2-(1,5-naphthyridin-4-yl)acetonitrile
SMILESN#CCc1ccnc2cccnc12
InChIInChI=1S/C10H7N3/c11-5-3-8-4-7-12-9-2-1-6-13-10(8)9/h1-2,4,6-7H,3H2
InChIKeyFBQUHDNGIUBMKF-UHFFFAOYSA-N
XLogP1.70
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloroquinolin-6-yl)acetonitrile
CID 163261913
2-(6-bromoquinolin-8-yl)acetonitrile
CID 54593004
2-(7-chloroquinolin-4-yl)acetonitrile
CID 63203863
2-(6-chloroquinolin-4-yl)acetonitrile
CID 84777023
2-(2-formyl-3-pyridinyl)acetonitrile
CID 123918433
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-(2-pyridin-4-yl-3-pyridinyl)acetonitrile
CID 119004765
2-(2-bromo-3-methyl-4-pyridinyl)acetonitrile
CID 118993108
2-[6-(chloromethyl)quinolin-5-yl]acetonitrile
CID 59591142
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[3-bromo-2-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704175
2-[2-amino-5-(quinolin-5-ylamino)phenyl]acetonitrile
CID 102623783

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-naphthyridin-4-yl)acetonitrile?
The IUPAC name of 2-(1,5-naphthyridin-4-yl)acetonitrile (CID 131154765) is 2-(1,5-naphthyridin-4-yl)acetonitrile.
What is the SMILES notation for 2-(1,5-naphthyridin-4-yl)acetonitrile?
The canonical SMILES for 2-(1,5-naphthyridin-4-yl)acetonitrile is N#CCc1ccnc2cccnc12.
What is the InChIKey of 2-(1,5-naphthyridin-4-yl)acetonitrile?
The InChIKey is FBQUHDNGIUBMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c11-5-3-8-4-7-12-9-2-1-6-13-10(8)9/h1-2,4,6-7H,3H2.
What are the key properties of 2-(1,5-naphthyridin-4-yl)acetonitrile?
2-(1,5-naphthyridin-4-yl)acetonitrile has a molecular weight of 169.19 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-naphthyridin-4-yl)acetonitrile is sourced from PubChem (CID 131154765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).