2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile

C14H12BrN3 — CID 114881034

IUPAC2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccnc1CNc1cccc(Br)c1C#N
InChIInChI=1S/C14H12BrN3/c1-10-4-3-7-17-14(10)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3
InChIKeyDWDVYPDJCBKVDP-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.64
Rot. Bonds3

About 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile

2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile (PubChem CID 114881034) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
PubChem CID114881034
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
SMILESCc1cccnc1CNc1cccc(Br)c1C#N
InChIInChI=1S/C14H12BrN3/c1-10-4-3-7-17-14(10)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3
InChIKeyDWDVYPDJCBKVDP-UHFFFAOYSA-N
XLogP3.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63306219
2-bromo-6-[(4-methyl-3-pyridinyl)methylamino]benzonitrile
CID 114956144
2,5-dibromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650097
4,6-dimethyl-2-[(3-methyl-2-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 63306269
2,4,6-tribromo-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650051
3-iodo-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 113373429
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
2-bromo-6-[(3-methyl-1,2-oxazol-5-yl)methylamino]benzonitrile
CID 114880886
3-amino-4-[(3-methyl-2-pyridinyl)methylamino]benzonitrile
CID 63305745
2-bromo-6-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 114881000
2-N-[(3-methyl-2-pyridinyl)methyl]benzene-1,2-diamine
CID 63305875
2-bromo-6-[(5-ethyl-1,3-thiazol-2-yl)methylamino]benzonitrile
CID 114127723

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile (CID 114881034) is 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile is Cc1cccnc1CNc1cccc(Br)c1C#N.
What is the InChIKey of 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
The InChIKey is DWDVYPDJCBKVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-10-4-3-7-17-14(10)9-18-13-6-2-5-12(15)11(13)8-16/h2-7,18H,9H2,1H3.
What are the key properties of 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile?
2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile has a molecular weight of 302.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(3-methyl-2-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 114881034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).