5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline

C12H10BrClN2 — CID 62913558

IUPAC5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
SMILESClc1ccc(Br)cc1NCc1ccccn1
InChIInChI=1S/C12H10BrClN2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyBTZBKCCUWXLPBO-UHFFFAOYSA-N
MW297.58 g/mol
LogP4.11
Rot. Bonds3

About 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline

5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline (PubChem CID 62913558) has the molecular formula C12H10BrClN2 and a molecular weight of 297.58 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
PubChem CID62913558
Molecular FormulaC12H10BrClN2
Molecular Weight297.58 g/mol
Exact Mass295.97
IUPAC Name5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline
SMILESClc1ccc(Br)cc1NCc1ccccn1
InChIInChI=1S/C12H10BrClN2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2
InChIKeyBTZBKCCUWXLPBO-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.58
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-(pyridin-2-ylmethyl)aniline
CID 43736724
4-bromo-1-N-methoxy-2-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 144790144
2-chloro-5-nitro-N-(pyridin-2-ylmethyl)aniline
CID 43718883
N-(5-bromo-2-chlorophenyl)-2-pyridin-2-ylethanesulfonamide
CID 62909121
2-chloro-4-iodo-N-(pyridin-2-ylmethyl)aniline
CID 43733694
N-[4-chloro-3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 43679078
N-[(5-bromo-2-pyridinyl)methyl]-2-chloro-5-methylaniline
CID 113344581
6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
3-bromo-5-chloro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 114835632
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
2-chloro-6-(pyridin-2-ylmethylamino)benzonitrile
CID 17393162

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline?
The IUPAC name of 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline (CID 62913558) is 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline.
What is the SMILES notation for 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline?
The canonical SMILES for 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline is Clc1ccc(Br)cc1NCc1ccccn1.
What is the InChIKey of 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline?
The InChIKey is BTZBKCCUWXLPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2/c13-9-4-5-11(14)12(7-9)16-8-10-3-1-2-6-15-10/h1-7,16H,8H2.
What are the key properties of 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline?
5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline has a molecular weight of 297.58 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(pyridin-2-ylmethyl)aniline is sourced from PubChem (CID 62913558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).